Domains

CATH

PDB Entries

PDB ID OPM Mutant Chain Formula Resolution HETNAM
Amino Acid sequence SCOPe Family Level CATH Homology Level
1a30[A2][a][A2][a][A2][a]2
1a8g[A2][A2][A2]2.5
2Z4:BENZYL [(1R)-1-({(1S,2S,3S)-1-BENZYL-2-HYDROXY-4-({(1S)-1-[(2-HYDROXY-4-METHOXYBENZYL)CARBAMOYL]-2-METHYLPROPYL}AMINO)-3-[(4-METHOXYBENZYL)AMINO]-4-OXOBUTYL}CARBAMOYL)-2,2-DIMETHYLPROPYL]CARBAMATE
1a8k[A2][A2][A2]2
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1a94[A2][A2][A2]2
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1a9m[A2][A2][A2]2.3
U0E:N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
1aaq[A2][A2][A2]2.5
PSI:METHYL N-{(4S,5S)-5-[(L-ALANYL-L-ALANYL)AMINO]-4-HYDROXY-6-PHENYLHEXANOYL}-L-VALYL-L-VALINATE
1aid[A2][A2][A2]2.2
CL:CHLORIDE ION
THK:4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL
1ajv[A2][A2][A2]2
NMB:2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL
1ajx[A2][A2][A2]2
AH1:AHA001
1am5[A][A][A]2.16
1apt[A][a][A][a][A][a]1.8
IVA:ISOVALERIC ACID
LTA:4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER
MAN:ALPHA-D-MANNOPYRANOSE
1apu[A][a][A][a][A][a]1.8
32L:ETHYL (3S,4S)-4-AMINO-3-HYDROXY-6-METHYLHEPTANOATE
IVA:ISOVALERIC ACID
MAN:ALPHA-D-MANNOPYRANOSE
1apv[A][a][A][a][A][a]1.8
DFO:2,2-DIFLUORO-3-HYDROSTATINE
DMF:DIMETHYLFORMAMIDE
IVA:ISOVALERIC ACID
MAN:ALPHA-D-MANNOPYRANOSE
NME:METHYLAMINE
SO4:SULFATE ION
XYS:ALPHA-D-XYLOPYRANOSE
1apw[A][a][A][a][A][a]1.8
DFI:2,2-DIFLUOROSTATINE
DMF:DIMETHYLFORMAMIDE
HSY:ALPHA-L-XYLOPYRANOSE
IVA:ISOVALERIC ACID
MAN:ALPHA-D-MANNOPYRANOSE
NME:METHYLAMINE
SO4:SULFATE ION
1avf[A][a][A][a][A][a]2.36
NA:SODIUM ION
1axa[A2][A2][A2]2
U0E:N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
1az5[A2][A2][A2]2
1b11[A2][A2][A2]1.9
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
SO4:SULFATE ION
1b5f[A2B2][A2B2][A4]1.72
BMA:BETA-D-MANNOPYRANOSE
FUC:ALPHA-L-FUCOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1b6j[A2][a][A2][a][A2][a]1.85
ABA:ALPHA-AMINOBUTYRIC ACID
NH2:AMINO GROUP
RTY:4-{4-[(2S,3R)-2-AMINO-4-BROMO-3-HYDROXYBUTYL]PHENOXY}BUTANOIC ACID
SO4:SULFATE ION
1b6k[A2][A2][A2]1.85
ABA:ALPHA-AMINOBUTYRIC ACID
PI5:N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE
SO4:SULFATE ION
1b6l[A2][A2][A2]1.75
ABA:ALPHA-AMINOBUTYRIC ACID
PI4:1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACIDTERT-BUTYLAMIDE
SO4:SULFATE ION
1b6m[A2][A2][A2]1.85
ABA:ALPHA-AMINOBUTYRIC ACID
PI6:[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYLESTER
SO4:SULFATE ION
1b6p[A2][A2][A2]2
ABA:ALPHA-AMINOBUTYRIC ACID
PI7:N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE
SO4:SULFATE ION
1bai[A2][A2][A2]2.4
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1bbs[A][A][A]2.8
1bdl[A2][A2][A2]2.8
IM1:(2R,4S,5S,1___sq___S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1___sq___-IMIDAZO-2-YL)-2___sq___-METHYLPROPANAMIDE
1bdq[A2][A2][A2]2.5
IM1:(2R,4S,5S,1___sq___S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1___sq___-IMIDAZO-2-YL)-2___sq___-METHYLPROPANAMIDE
1bdr[A2][A2][A2]2.8
IM1:(2R,4S,5S,1___sq___S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1___sq___-IMIDAZO-2-YL)-2___sq___-METHYLPROPANAMIDE
1bil[A2][A2][A2]2.4
0IU:(2S)-2-[(2-AMINO-1,3-THIAZOL-4-YL)METHYL]-N~1~-[(1S,2R,3R)-1-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]-N~4~-[2-(D IMETHYLAMINO)-2-OXOETHYL]-N~4~-[(1S)-1-PHENYLETHYL]BUTANEDIAMIDE
1bim[A2][A2][A2]2.8
0QB:(2S)-2-[(2-AMINO-1,3-THIAZOL-4-YL)METHYL]-N~1~-{(1S,2S)-1-(CYCLOHEXYLMETHYL)-2-HYDROXY-2-[(3R)-1,5,5-TRIMETHYL-2-OXOPYRROLIDIN-3-YL]ETHYL}-N~4~-[2-(DIMETHYLAMINO)-2-OXOETHYL]-N~4~-[(1S)-1-PHENYLETHYL]BUTANEDIAMIDE
1bv7[A2][A2][A2]2
XV6:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3___sq___-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
1bv9[A2][A2][A2]2
XV6:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3___sq___-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
1bve[A2][A2][A2]NOTAPPLICABLE.
DMP:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
1bvg[A2][A2][A2]NOTAPPLICABLE.
DMP:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
1bwa[A2][A2][A2]1.9
XV6:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3___sq___-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
1bwb[A2][A2][A2]1.8
146:[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3___sq___-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
1bxo[A][A][A]0.95
GOL:GLYCEROL
MAN:ALPHA-D-MANNOPYRANOSE
PP7:METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE
SO4:SULFATE ION
1bxq[A][A][A]1.41
ACT:ACETATE ION
GOL:GLYCEROL
MAN:ALPHA-D-MANNOPYRANOSE
PP8:2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER
SO4:SULFATE ION
1c6x[A2][A2][A2]2.5
3IN:N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE
1c6y[A2][A2][A2]2.5
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1c6z[A2][A2][A2]2.5
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
1c70[A2][A2][A2]2.5
L75:N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE
1cms[A][A][A]2.3
1cpi[A2][a][A2][a][A2][a]2.05
ABA:ALPHA-AMINOBUTYRIC ACID
NH2:AMINO GROUP
RTY:4-{4-[(2S,3R)-2-AMINO-4-BROMO-3-HYDROXYBUTYL]PHENOXY}BUTANOIC ACID
SO4:SULFATE ION
1czi[A][a][A][a][A][a]2.3
NOR:CYCLOHEXYL-NORSTATINE
PHI:IODO-PHENYLALANINE
SMC:S-METHYLCYSTEINE
1d4h[A2][A2][A2]1.81
BEH:2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACIDBENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE
1d4i[A2][A2][A2]1.81
BEG:2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE]
1d4j[A2][A2][A2]1.81
MSC:2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID 2-CHLORO-6-FLUORO-BENZYLAMIDE (2-HYDROXY-INDAN-1- YL)-AMIDE
1d4k[A2][A2][A2]1.85
ABA:ALPHA-AMINOBUTYRIC ACID
PI8:N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE
SO4:SULFATE ION
1d4l[A2][A2][A2]1.75
ABA:ALPHA-AMINOBUTYRIC ACID
PI9:(10S,13S,1___sq___R)-13-[1___sq___-HYDROXY-2___sq___-(N-P-AMINOBENZENESULFONYL-1___sq______sq___-AMINO-3___sq______sq___-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO[13.2.2]NONADECA-15,17,18-TRIENE
SO4:SULFATE ION
1d4s[A2][A2][A2]2.5
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
1d4y[A2][A2][A2]1.97
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
1daz[A2][A2][A2]1.55
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1dif[A2][A2][A2]1.7
A85:N-{1-BENZYL-2,2-DIFLUORO-3,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
BME:BETA-MERCAPTOETHANOL
1dmp[A2][A2][A2]2
CSO:S-HYDROXYCYSTEINE
DMQ:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
1dp5[AB][AB][AB]2.2
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1dpj[AB][AB][AB]1.8
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
1dw6[A2][A2][A2]1.88
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1e5o[A][A][A]2.05
3AI:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-D-METHIONYL-L-ALANYL-L-ISOLEUCINE
1e80[A][A][A]2.05
0GQ:4-AMINO-N-{(1R,8R,9R,13R)-16-(4-AMINO-2-METHYLPYRIMIDIN-5-YL)-1-BENZYL-8-(CYCLOHEXYLMETHYL)-9-HYDROXY-13-[(1S)-1-METHYLPROPYL]-2,6,11,14-TETRAOXO-3,7,12,15-TETRAAZAHEXADEC-1-YL}PIPERIDINE-1-CARBOXAMIDE
1e81[A][A][A]2.05
M91:(2S)-1-{[(2R)-1-{[(2S,3S)-1-CYCLOHEXYL-3-HYDROXY-4-(2-OXOPYRIDIN-1(2H)-YL)BUTAN-2-YL]AMINO}-3-(METHYLSULFANYL)-1-OXOPROPAN-2-YL]AMINO}-1-OXO-3-PHENYLPROPAN-2-YL 4-AMINOPIPERIDINE-1-CARBOXYLATE
1e82[A][A][A]2.05
M90:(2S)-1-{[(2R)-1-{[(2S,3R)-1-CYCLOHEXYL-3-HYDROXY-4-(PYRIDIN-4-YLOXY)BUTAN-2-YL]AMINO}-3-(METHYLSULFANYL)-1-OXOPROPAN-2-YL]AMINO}-1-OXO-3-PHENYLPROPAN-2-YL 4-AMINOPIPERIDINE-1-CARBOXYLATE
1eag[A2][A2][A2]2.1
A70:N-ETHYL-N-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-D-PHENYLALANYL-N-[(1S,2S,4R)-4-(BUTYLCARBAMOYL)-1-(CYCLOHEXYLMETHYL)-2-HYDROXY-5-METHYLHEXYL]-L-NORLEUCINAMIDE
1ebk[A2][A2][A2]2.06
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1ebw[A2][A2][A2]1.81
BEI:N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]
1eby[A2][A2][A2]2.29
BEB:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
1ebz[A2][A2][A2]2.01
BEC:[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE
1ec0[A2][A2][A2]1.79
BED:N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
1ec1[A2][A2][A2]2.1
BEE:N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
1ec2[A2][A2][A2]2
BEJ:N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
1ec3[A2][A2][A2]1.8
MS3:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]
1eed[A][A][A]2
0EO:(2S)-2-[[(3S,4S)-5-CYCLOHEXYL-4-[[(4S,5S)-5-[(2-METHYLPROPAN-2-YL)OXYCARBONYLAMINO]-4-OXIDANYL-6-PHENYL-HEXANOYL]AMINO]-3-OXIDANYL-PENTANOYL]AMINO]-4-METHYL-PENTANOIC ACID
1ent[A][A][A]1.9
0EM:N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL-N-{(1S)-1-[(R)-HYDROXY(2-{[(2S)-2-METHYLBUTYL]AMINO}-2-OXOETHYL)PHOSPHORYL]-3-METHYLBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE
SO4:SULFATE ION
1epl[A][a][A][a][A][a]2
PSA:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
1epm[A][a][A][a][A][a]1.6
PSA:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
SO4:SULFATE ION
1epn[A][A][A]1.6
2ZS:N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANYL-N-[(1R,2S)-1-(CYCLOHEXYLMETHYL)-2-HYDROXY-3-(1-METHYLETHOXY)-3-OXOPROPYL]-S-METHYL-L-CYSTEINAMIDE
SO4:SULFATE ION
1epo[A][A][A]2
2Z3:N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANYL-N-[(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-(METHYLAMINO)-4-OXOBUTYL]-L-NORLEUCINAMIDE
1epp[A][A][A]1.9
1Z1:N-(DIMETHYLSULFAMOYL)-L-PHENYLALANYL-N-[(1S,2S)-2-HYDROXY-4-{[(2S)-2-METHYLBUTYL]AMINO}-1-(2-METHYLPROPYL)-4-OXOBUTYL]-N~6~-(METHYLCARBAMOTHIOYL)-L-LYSINAMIDE
SO4:SULFATE ION
1epq[A][A][A]1.9
0QF:N-[(1S)-2-{[(2S,3R,4S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-METHYLHEPTAN-2-YL]AMINO}-1-(ETHYLSULFANYL)-2-OXOETHYL]-NALPHA-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANINAMIDE
SO4:SULFATE ION
1epr[A][A][A]2.3
0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE
DGN:D-GLUTAMINE
1er8[A][a][A][a][A][a]2
DHI:D-HISTIDINE
1f34[AB][AB][AB]2.45
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
SEP:PHOSPHOSERINE
1f7a[A2][a][A2][a][A2][a]2
ACT:ACETATE ION
1fb7[A2][A2][A2]2.6
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
1fej[A2][A2][A2]1.78
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
1ff0[A2][A2][A2]1.85
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
1fff[A2][A2][A2]1.9
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1ffi[A2][A2][A2]1.7
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
1fg6[A2][A2][A2]1.8
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
1fg8[A2][A2][A2]1.85
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1fgc[A2][A2][A2]1.9
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
1fiv[A2][a2][A2][a2][A2][a2]2
ACE:ACETYL GROUP
ALN:NAPHTHALEN-2-YL-3-ALANINE
NH2:AMINO GROUP
STA:STATINE
1fkn[A][a][A][a][A][a]1.9
1OL:(2R,4S,5S)-5-AMINO-4-HYDROXY-2,7-DIMETHYLOCTANOIC ACID
1flh[A][A][A]2.45
1fmb[A2][A2][A2]1.8
HYB:[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-PHENYLALANINOL
1fmu[A][A][A]2.7
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
NDG:2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSE
1fmx[A][A][A]2.61
BMA:BETA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1fq4[A][A][A]2.7
2Y2:N-[(2R)-1-{[(2S,3R,5R)-1-CYCLOHEXYL-3-HYDROXY-5-{[2-(MORPHOLIN-4-YL)ETHYL]CARBAMOYL}OCT-7-YN-2-YL]AMINO}-3-(METHYLSULFA NYL)-1-OXOPROPAN-2-YL]-1H-BENZIMIDAZOLE-2-CARBOXAMIDE
BGC:BETA-D-GLUCOPYRANOSE
BMA:BETA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1fq5[A][A][A]2.4
0GM:N-[(5S,9S,10S,13S)-9-HYDROXY-5,10-BIS(2-METHYLPROPYL)-4,7,12,16-TETRAOXO-3,6,11,17-TETRAAZABICYCLO[17.3.1]TRICOSA-1(23),19,21-TRIEN-13-YL]-3-(NAPHTHALEN-1-YL)-2-(NAPHTHALEN-1-YLMETHYL)PROPANAMIDE
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1fq6[A][A][A]2.7
0QF:N-[(1S)-2-{[(2S,3R,4S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-METHYLHEPTAN-2-YL]AMINO}-1-(ETHYLSULFANYL)-2-OXOETHYL]-NALPHA-(MORP HOLIN-4-YLSULFONYL)-L-PHENYLALANINAMIDE
BMA:BETA-D-MANNOPYRANOSE
GUP:ALPHA-L-GULOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1fq7[A][A][A]2.8
2Y3:N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL-N-[(2S,3S,5R)-1-CYCLOHEXYL-3-HYDROXY-7-METHYL-5-(METHYLCARBAMOYL)OCTAN-2-YL]-L-HISTIDINAMIDE
BMA:BETA-D-MANNOPYRANOSE
KBG:BETA-D-ARABINO-HEXOPYRANOS-2-ULOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1fq8[A][A][A]2.8
2Y4:N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-CYCLOHEXYL-4,4-DIFLUORO-3-HYDROXY-5-(METHYLAMINO)-5-OXO-PENTAN-2-YL]AMINO]-1-OXO-HEXAN-2 -YL]AMINO]-1-OXO-3-PHENYL-PROPAN-2-YL]MORPHOLINE-4-CARBOXAMIDE
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1fqx[A2][A2][A2]3.1
0ZT:N-{(2S,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
1g0v[AB][AB][AB]2
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1g2k[A2][A2][A2]1.95
NM1:3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE
1g35[A2][A2][A2]1.8
AHF:2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL
1g6l[A][A][A]1.9
1gkt[A][a][A][a][A][a]2.1
BOC:TERT-BUTYL HYDROGEN CARBONATE
LOV:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
1gnm[A2][A2][A2]2.3
U0E:N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
1gnn[A2][A2][A2]2.3
U0E:N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
1gno[A2][A2][A2]2.3
U0E:N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
1gvt[A][A][A]0.98
2ZS:N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANYL-N-[(1R,2S)-1-(CYCLOHEXYLMETHYL)-2-HYDROXY-3-(1-METHYLETHOXY)-3-OXOPROPYL]-S-METHYL-L-CYSTEINAMIDE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
1gvu[A][a][A][a][A][a]0.94
SO4:SULFATE ION
STA:STATINE
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
1gvv[A][A][A]1.05
0GM:N-[(5S,9S,10S,13S)-9-HYDROXY-5,10-BIS(2-METHYLPROPYL)-4,7,12,16-TETRAOXO-3,6,11,17-TETRAAZABICYCLO[17.3.1]TRICOSA-1(23),19,21-TRIEN-13-YL]-3-(NAPHTHALEN-1-YL)-2-(NAPHTHALEN-1-YLMETHYL)PROPANAMIDE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
1gvw[A][A][A]1
0EM:N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL-N-{(1S)-1-[(R)-HYDROXY(2-{[(2S)-2-METHYLBUTYL]AMINO}-2-OXOETHYL)PHOSPHORYL]-3-METHYLBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
1gvx[A][a][A][a][A][a]1
PUK:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-L-PHENYLALANINE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
1hbv[A2][A2][A2]2.3
GAN:2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER
1hef[A2][a2][A2][a2][A2][a2]2.2
PJJ:(2R,4S,5S)-5-AMINO-2-BENZYL-4-HYDROXY-6-PHENYLHEXANOICACID
VME:METHYL L-VALINATE
1heg[A2][A2][A2]2.2
PSI:METHYL N-{(4S,5S)-5-[(L-ALANYL-L-ALANYL)AMINO]-4-HYDROXY-6-PHENYLHEXANOYL}-L-VALYL-L-VALINATE
1hhp[A2][A2][A2]2.7
1hih[A2][A2][A2]2.2
BME:BETA-MERCAPTOETHANOL
C20:ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL
1hii[A2][A2][A2]2.3
C20:ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL
SO4:SULFATE ION
1hiv[A2][A2][A2]2
1ZK:4-[(2R)-3-{[(1S,2S,3R,4S)-1-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYL-4-({(1S,2R)-2-METHYL-1-[(PYRIDIN-2-YLMETHYL)CARBAMOYL]BUTYL}CARBAMOYL)HEXYL]AMINO}-2-{[(NAPHTHALEN-1-YLOXY)ACETYL]AMINO}-3-OXOPROPYL]-1H-IMIDAZOL-3-IUM
CSO:S-HYDROXYCYSTEINE
1hos[A2][A2][A2]2.3
PHP:(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID
1hpo[A2][A2][A2]2.5
UNI:4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
1hps[A2][A2][A2]2.3
RUN:2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE
1hpv[A2][A2][A2]1.9
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
1hpx[A2][A2][A2]2
KNI:(4R)-N-TERT-BUTYL-3-[(2S,3S)-2-HYDROXY-3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]-S-METHYL-L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
1hrn[A2][A2][A2]1.8
03D:(2R,4S,5S)-N-[(2S,3R,4S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-METHYLHEPTAN-2-YL]-2-(CYCLOPROPYLMETHYL)-4,5-DIHYDROXY-6-PHENYLHEXANAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1hsg[A2][A2][A2]2
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1hsh[A2][A2][A2]1.9
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1hsi[A2][A2][A2]2.5
1hte[A2][a][A2][a][A2][a]2.8
G23:(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
1htf[A2][A2][A2]2.2
G26:2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID(HYDROXYMETHYL-2-PHENYLETHYL)AMIDE
1htg[A2][A2][A2]2
G37:2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE
1htr[A2B2][A2B2][A2B2]1.62
1hvc[A][A][A]1.8
A79:N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
1hvh[A2][A2][A2]1.8
Q82:{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
1hvi[A2][A2][A2]1.8
A77:N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
1hvj[A2][A2][A2]2
A78:N-{1-BENZYL-3-HYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
1hvk[A2][A2][A2]1.8
A79:N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
1hvl[A2][A2][A2]1.8
A76:N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
1hvr[A2][A2][A2]1.8
CSO:S-HYDROXYCYSTEINE
XK2:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
1hvs[A2][A2][A2]2.25
A77:N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
1hwr[A2][A2][A2]1.8
216:[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
1hxb[A2][A2][A2]2.3
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
1hxw[A2][A2][A2]1.8
RIT:RITONAVIR
1ibq[A][A][A]2.14
MAN:ALPHA-D-MANNOPYRANOSE
ZN:ZINC ION
1ida[A2][A2][A2]1.7
0PO:N-[(1R)-1-{[(1S,2S)-1-BENZYL-3-{(2R,4S)-2-(TERT-BUTYLCARBAMOYL)-4-[(PYRIDIN-3-YLMETHYL)SULFANYL]PIPERIDIN-1-YL}-2-HYDROXYPROPYL]CARBAMOYL}-2-METHYLPROPYL]QUINOLINE-2-CARBOXAMIDE
1idb[A2][A2][A2]2.2
0DO:(2R,4S)-N-TERT-BUTYL-1-[(2S,3S)-3-{[(2,6-DIMETHYLPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTYL]-4-(PYRIDIN-4-YLSULFONYL)PIPERIDINE-2-CARBOXAMIDE
1iiq[A2][A2][A2]1.83
0ZR:N-{(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-GLUTAMINYL-L-PHENYLALANINAMIDE
GOL:GLYCEROL
1ivp[A2][A2][A2]2.5
1ZK:4-[(2R)-3-{[(1S,2S,3R,4S)-1-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYL-4-({(1S,2R)-2-METHYL-1-[(PYRIDIN-2-YLMETHYL)CARBAMOYL]BUTYL}CARBAMOYL)HEXYL]AMINO}-2-{[(NAPHTHALEN-1-YLOXY)ACETYL]AMINO}-3-OXOPROPYL]-1H-IMIDAZOL-3-IUM
1ivq[A2][A2][A2]2.6
0PX:N~1~-{(1S,2S,4S)-1-(CYCLOHEXYLMETHYL)-4-[(2,2-DIMETHYLPROPYL)CARBAMOYL]-2-HYDROXY-5-METHYLHEXYL}-N~2~-(QUINOLIN-2-YLCARBONYL)-L-ASPARTAMIDE
1izd[A][A][A]1.9
MAN:ALPHA-D-MANNOPYRANOSE
1ize[A][a][A][a][A][a]1.9
IVA:ISOVALERIC ACID
MAN:ALPHA-D-MANNOPYRANOSE
STA:STATINE
1izh[A2][A2][A2]1.9
Q50:{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
1izi[A2][A2][A2]2.15
CL:CHLORIDE ION
Q50:{(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
1j71[A][a][A][a][A][a]1.8
EOH:ETHANOL
1jld[A2][A2][A2]2.5
0PP:(2S)-2-TERT-BUTYL-N~4~-(1-ETHYLPROPYL)-N~1~-[(2R,3S)-2-HYDROXY-4-PHENYL-3-{[N-(QUINOLIN-2-YLCARBONYL)-L-THREONYL]AMINO}BUTYL]BUTANEDIAMIDE
1k1t[A2][A2][A2]1.2
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
SO4:SULFATE ION
1k1u[A2][A2][A2]1.55
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1k2b[A2][A2][A2]1.7
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1k2c[A2][A2][A2]2.2
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
1k6c[A2][A2][A2]2.2
ACT:ACETATE ION
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1k6p[A2][A2][A2]2.2
ACT:ACETATE ION
XN3:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1k6t[A2][A2][A2]2.25
ACT:ACETATE ION
XN1:N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN TANAMIDE
1k6v[A2][A2][A2]2
ACT:ACETATE ION
XN2:N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE NYLETHYL)-PENTANAMIDE
1kj4[A2][a][A2][a][A2][a]2.9
ACT:ACETATE ION
1kj7[A2][a][A2][a][A2][a]2
ACT:ACETATE ION
1kjf[A2][a][A2][a][A2][a]2
ACT:ACETATE ION
1kjg[A2][a][A2][a][A2][a]2
ACT:ACETATE ION
1kjh[A2][a][A2][a][A2][a]2
ACT:ACETATE ION
1kzk[A2][A2][A2]1.09
CL:CHLORIDE ION
EDO:1,2-ETHANEDIOL
JE2:(4R)-3-{(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-PHENYLBUTANOYL}-5,5-DIMETHYL-N-(2-METHYLBENZYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE
1lee[A][A][A]1.9
R36:4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE
1lf2[A][A][A]1.8
R37:3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE
1lf3[A][A][A]2.7
EH5:N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE
1lf4[A][A][A]1.9
1ls5[A][a][A][a][A][a]2.8
IVA:ISOVALERIC ACID
STA:STATINE
1lv1[A][A][A]2.1
1lya[A2B2][A2B2][A4]2.5
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1lyb[A2B2][a2][A2B2][a2][A4][a2]2.5
BMA:BETA-D-MANNOPYRANOSE
IVA:ISOVALERIC ACID
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
STA:STATINE
1lyw[AB][AB][A2]2.5
EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
1lzq[A2][A2][A2]2.2
0ZQ:N-{(3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
BME:BETA-MERCAPTOETHANOL
1m0b[A2][A2][A2]2.45
0ZQ:N-{(3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
GOL:GLYCEROL
1m43[A][a][A][a][A][a]2.4
IVA:ISOVALERIC ACID
STA:STATINE
1m4h[A][a][A][a][A][a]2.1
1OL:(2R,4S,5S)-5-AMINO-4-HYDROXY-2,7-DIMETHYLOCTANOIC ACID
1me6[A][A][A]2.7
IVS:3-HYDROXY-6-METHYL-4-(3-METHYL-2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOICACID ETHYL ESTER
1mer[A2][A2][A2]1.9
DMQ:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
1mes[A2][A2][A2]1.9
DMP:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
1met[A2][A2][A2]1.9
DMP:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
1meu[A2][A2][A2]1.9
DMP:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
1miq[A][A][A]2.5
1mpp[A][A][A]2
SO4:SULFATE ION
1mrw[A2][A2][A2]2
K57:(4R)-N-TERT-BUTYL-3-{(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-PHENYLBUTANOYL}-5,5-DIMETHYL-1,3-THIAZOLI DINE-4-CARBOXAMIDE
1mrx[A2][A2][A2]2
K57:(4R)-N-TERT-BUTYL-3-{(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-PHENYLBUTANOYL}-5,5-DIMETHYL-1,3-THIAZOLI DINE-4-CARBOXAMIDE
1msm[A2][A2][A2]2
JE2:(4R)-3-{(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-PHENYLBUTANOYL}-5,5-DIMETHYL-N-(2-METHYLBENZYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE
1msn[A2][A2][A2]2
JE2:(4R)-3-{(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-PHENYLBUTANOYL}-5,5-DIMETHYL-N-(2-METHYLBENZYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE
1mt7[A2][a][A2][a][A2][a]1.9
ACT:ACETATE ION
1mt8[A2][a][A2][a][A2][a]2.15
ACT:ACETATE ION
1mt9[A2][a][A2][a][A2][a]2
PO4:PHOSPHATE ION
1mtb[A2][A2][A2]2.5
ASN:ASPARAGINE
DIQ:2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
HPH:(2S)-2-AMINO-3-PHENYLPROPANE-1,1-DIOL
NTB:TERTIARY-BUTYLAMINE
QNC:QUINOLINE-2-CARBOXYLIC ACID
1mtr[A2][A2][A2]1.75
ABA:ALPHA-AMINOBUTYRIC ACID
PI6:[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYLESTER
SO4:SULFATE ION
1mui[A2][A2][A2]2.8
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
1mvp[A2][A2][A2]2.2
1n49[A2][A2][A2]2.2
RIT:RITONAVIR
1nh0[A2][a2][A2][a2][A2][a2]1.03
BME:BETA-MERCAPTOETHANOL
KI2:3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRICACID
NH2:AMINO GROUP
SO4:SULFATE ION
1npa[A2][A2][A2]2
3NH:(3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
1npv[A2][A2][A2]2
L27:{1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
1npw[A2][A2][A2]2
LGZ:CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER
1nso[A][A][A]NOTAPPLICABLE.
1od1[A][A][A]1.37
0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE
SO4:SULFATE ION
1odw[A2][A2][A2]2.1
0E8:DI-TERT-BUTYL {IMINOBIS[(2S,3S)-3-HYDROXY-1-PHENYLBUTANE-4,2-DIYL]}BISCARBAMATE
1odx[A2][A2][A2]2
0E8:DI-TERT-BUTYL {IMINOBIS[(2S,3S)-3-HYDROXY-1-PHENYLBUTANE-4,2-DIYL]}BISCARBAMATE
1ody[A2][A2][A2]2
LP1:4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOICACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
1oew[A][A][A]0.9
GOL:GLYCEROL
SER:SERINE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
THR:THREONINE
1oex[A][a][A][a][A][a]1.1
BOC:TERT-BUTYL HYDROGEN CARBONATE
GOL:GLYCEROL
LOV:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
1ohr[A2][A2][A2]2.1
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
1pfz[A][A][A]1.85
GOL:GLYCEROL
1ppk[A][A][A]1.8
DMF:DIMETHYLFORMAMIDE
HSY:ALPHA-L-XYLOPYRANOSE
IVV:N-(3-METHYLBUTANOYL)-L-VALYL-N-{(1R)-1-[(R)-(2-ETHOXY-2-OXOETHYL)(HYDROXY)PHOSPHORYL]-3-METHYLBUTYL}-L-VALINAMIDE
MAN:ALPHA-D-MANNOPYRANOSE
SO4:SULFATE ION
1ppl[A][A][A]1.7
1Z7:N-(3-METHYLBUTANOYL)-L-VALYL-N-{(1S)-1-[(R)-[(1R)-1-BENZYL-2-METHOXY-2-OXOETHOXY](HYDROXY)PHOSPHORYL]-3-METHYLBUTYL}-L- VALINAMIDE
MAN:ALPHA-D-MANNOPYRANOSE
SO4:SULFATE ION
XYS:ALPHA-D-XYLOPYRANOSE
1ppm[A][A][A]1.7
0P1:N-[(BENZYLOXY)CARBONYL]-L-ALANYL-N-{(1S)-1-[(R)-[(1R)-1-BENZYL-2-METHOXY-2-OXOETHOXY](HYDROXY)PHOSPHORYL]-3-METHYLBUTYL }-L-ALANINAMIDE
ARA:ALPHA-L-ARABINOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
SO4:SULFATE ION
1pro[A2][A2][A2]1.8
A88:(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE
1psa[A2][A2][A2]2.9
0ZL:N-(ETHOXYCARBONYL)-L-LEUCYL-N-[(1R,2S,3S)-1-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXY-5-METHYLHEXYL]-L-LEUCINAMIDE
1psn[A][A][A]2.2
1pso[A][a][A][a][A][a]2
IVA:ISOVALERIC ACID
STA:STATINE
1q9p[A][A][A]NOTAPPLICABLE.
1qbr[A2][A2][A2]1.8
XV6:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3___sq___-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
1qbs[A2][A2][A2]1.8
CSO:S-HYDROXYCYSTEINE
DMP:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
1qbt[A2][A2][A2]2.1
146:[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3___sq___-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
1qbu[A2][A2][A2]1.8
846:[4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]METHYL-2-THIAZOLYLBENZAMIDE
1qdm[A][A][A]2.3
1qrp[A][A][A]1.96
HH0:METHYL N-[(2S)-2-({(S)-HYDROXY[(1R)-3-METHYL-1-{[N-(3-METHYLBUTANOYL)-L-VALYL-L-VALYL]AMINO}BUTYL]PHOSPHORYL}OXY)-3-PHENYLPROPANOYL]-L-ALANYL-L-ALANINATE
1qs8[A][a][A][a][A][a]2.5
ACT:ACETATE ION
IVA:ISOVALERIC ACID
STA:STATINE
1rl8[A2][A2][A2]2
RIT:RITONAVIR
1rne[A2][A2][A2]2.4
C60:[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
1rpi[A2][A2][A2]1.86
GLC:ALPHA-D-GLUCOPYRANOSE
1rq9[A2][A2][A2]2.6
DMQ:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
1rv7[A2][A2][A2]2.7
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
1sbg[A2][A2][A2]2.3
IM1:(2R,4S,5S,1___sq___S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1___sq___-IMIDAZO-2-YL)-2___sq___-METHYLPROPANAMIDE
1sdt[A2][A2][A2]1.3
CL:CHLORIDE ION
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1sdu[A2][A2][A2]1.25
ACT:ACETATE ION
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
SO4:SULFATE ION
1sdv[A2][A2][A2]1.4
CL:CHLORIDE ION
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1sgu[A2][A2][A2]1.9
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
1sgz[A][A][A]2
1sh9[A2][A2][A2]2.5
RIT:RITONAVIR
1sip[A2][A2][A2]2.3
1siv[A2][A2][A2]2.5
PSI:METHYL N-{(4S,5S)-5-[(L-ALANYL-L-ALANYL)AMINO]-4-HYDROXY-6-PHENYLHEXANOYL}-L-VALYL-L-VALINATE
1sme[A][a][A][a][A][a]2.7
IVA:ISOVALERIC ACID
STA:STATINE
1smr[A][a][A][a][A][a]2
LPL:LEU-HYDROXYETHYLENE-LEU
PIV:PIVALIC ACID
1sp5[A2][a][A2][a][A2][a]1.8
BME:BETA-MERCAPTOETHANOL
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
1t3r[A2][A2][A2]1.2
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
PO4:PHOSPHATE ION
1t6e[A][A][A]1.7
GOL:GLYCEROL
1t6g[AB][AB][AB]1.8
GOL:GLYCEROL
1t7i[A2][A2][A2]1.35
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
1t7j[A2][A2][A2]2.2
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
ACT:ACETATE ION
1t7k[A2][A2][A2]2.1
BH0:3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE
1tcw[A2][A2][A2]2.4
IM1:(2R,4S,5S,1___sq___S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1___sq___-IMIDAZO-2-YL)-2___sq___-METHYLPROPANAMIDE
1tcx[A2][A2][A2]2.3
IM1:(2R,4S,5S,1___sq___S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1___sq___-IMIDAZO-2-YL)-2___sq___-METHYLPROPANAMIDE
1tqf[A][A][A]1.8
32P:3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYLPHENYLMETHANESULFONATE
1tsq[A2][a][A2][a][A2][a]2
ACT:ACETATE ION
1tsu[A2][a][A2][a][A2][a]2.1
1tw7[A2][A2][A2]1.3
NA:SODIUM ION
1tzs[A2B2][a2][A2B2][a2][A2B2][a2]2.35
1u8g[A2][a][A2][a][A2][a]2.2
KI2:3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRICACID
NH2:AMINO GROUP
1uh7[A][A][A]2.1
1uh8[A][A][A]2.3
1uh9[A][A][A]2
1upj[A2][A2][A2]2.22
U01:3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE
1vij[A2][A2][A2]2.4
BAY:N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE
1vik[A2][A2][A2]2.4
BAY:N-(1-BENZYL-2,3-DIHYDROXY-4-{3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRYLAMINO}-5-PHENYL-PENTYL)-3-METHYL-2-[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-3-NAPHTHALEN-1-YL-PROPIONYLAMINO]-BUTYRAMIDE
1w50[A][A][A]1.75
IOD:IODIDE ION
1w51[A][A][A]2.55
IOD:IODIDE ION
L01:3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE
1w5v[A2][A2][A2]1.8
BE3:N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
1w5w[A2][A2][A2]1.8
BE4:(2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N___sq___-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE
1w5x[A2][A2][A2]1.9
BE5:(2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N___sq___-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE
1w5y[A2][A2][A2]1.9
BE6:(2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N___sq___-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE
1w6h[A][A][A]2.24
TIT:N-((3S,4S)-5-[(4-BROMOBENZYL)OXY]-3-HYDROXY-4-{[N-(PYRIDIN-2-YLCARBONYL)-L-VALYL]AMINO}PENTANOYL)-L-ALANYL-L-LEUCINAMIDE
1w6i[A][a][A][a][A][a]2.7
IVA:ISOVALERIC ACID
STA:STATINE
1wbk[A2][A2][A2]2
568:N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
1wbm[A2][A2][A2]2
BLL:(2R,3R,4R,5R)-3,4-DIHYDROXY-N,N___sq___-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE
1wkr[A][a][A][a][A][a]1.3
IVA:ISOVALERIC ACID
SO4:SULFATE ION
STA:STATINE
1xdh[A2][a2][A2][a2][A2][a2]1.7
IVA:ISOVALERIC ACID
STA:STATINE
1xe5[A2][A2][A2]2.4
5FE:5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID METHYLESTER
1xe6[A2][A2][A2]2.8
5FP:5,5,5-TRIFLUORO-3-HYDROXY-4-[2-(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-METHYL-2-[3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-PENTANOYLAMINO)-PROPIONYLAMINO]-PENTANOIC ACID
1xl2[A2][A2][A2]1.5
189:N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE
CL:CHLORIDE ION
GOL:GLYCEROL
1xl5[A2][A2][A2]1.73
190:N-{(1S)-1-(3-BROMOBENZYL)-4-[(4-BROMOPHENYL)SULFONYL]-6-METHYL-2-OXOHEPTYL}-2-(2,6-DIMETHYLPHENOXY)ACETAMIDE
CL:CHLORIDE ION
1xn2[A][a][A][a][A][a]1.9
1OL:(2R,4S,5S)-5-AMINO-4-HYDROXY-2,7-DIMETHYLOCTANOIC ACID
1xn3[A][A][A]2
STA:STATINE
1xs7[A][A][A]2.8
MMI:N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4-ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE
1yg9[A][A][A]1.3
CSX:S-OXY CYSTEINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
ZN:ZINC ION
1ym2[A][a][A][a][A][a]2.05
24O:(1R,2R)-2-[(1S,2S)-2-AMINO-1-HYDROXY-4-METHYLPENTYL]-4-OXOCYCLOPENTANECARBOXYLIC ACID
ACE:ACETYL GROUP
LYT:BUTYLAMINE
1ym4[A][a][A][a][A][a]2.25
24M:(1R,2R)-2-[(1S,2S)-2-AMINO-1-HYDROXY-4-METHYLPENTYL]CYCLOPENTANECARBOXYLIC ACID
1yt9[A2][A2][A2]3
OIS:(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3-((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE
1ytg[A2][a][A2][a][A2][a]2.3
NH2:AMINO GROUP
1yth[A2][a][A2][a][A2][a]2.2
ACE:ACETYL GROUP
1yti[A2][a2][A2][a2][A2][a2]2.2
1ytj[A2][a2][A2][a2][A2][a2]2.5
NLE:NORLEUCINE
PPN:PARA-NITROPHENYLALANINE
1yx9[A][A][A]3
DMS:DIMETHYL SULFOXIDE
1z1h[A2][A2][A2]1.85
ABA:ALPHA-AMINOBUTYRIC ACID
HBB:N-{(2R)-2-HYDROXY-2-[(8S,11S)-8-ISOPROPYL-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE
SO4:SULFATE ION
1z1r[A2][A2][A2]1.85
ABA:ALPHA-AMINOBUTYRIC ACID
HBH:2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE
SO4:SULFATE ION
1z8c[A2][A2][A2]2.2
0ZS:N-{(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
SO4:SULFATE ION
1zap[A][A][A]2.5
A70:N-ETHYL-N-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-D-PHENYLALANYL-N-[(1S,2S,4R)-4-(BUTYLCARBAMOYL)-1-(CYCLOHEXYLMETHYL)-2-HYDROXY-5-METHYLHEXYL]-L-NORLEUCINAMIDE
ZN:ZINC ION
1zbg[A2][A2][A2]2
0ZS:N-{(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
CL:CHLORIDE ION
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
NA:SODIUM ION
1zj7[A2][A2][A2]1.93
0ZT:N-{(2S,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
1zlf[A2][A2][A2]2.3
0ZR:N-{(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-GLUTAMINYL-L-PHENYLALANINAMIDE
1zp8[A2][A2][A2]2.02
AB2:[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE
1zpa[A2][A2][A2]2.02
A83:TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE
1zpk[A2][A2][A2]1.65
0ZS:N-{(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
CL:CHLORIDE ION
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
NA:SODIUM ION
1zsf[A2][A2][A2]1.98
0ZS:N-{(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
CSO:S-HYDROXYCYSTEINE
1zsr[A2][A2][A2]2.06
0ZT:N-{(2S,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANINAMIDE
CSO:S-HYDROXYCYSTEINE
1ztz[A2][a][A2][a][A2][a]2.15
CB5:COBALT BIS(1,2-DICARBOLLIDE)
2a1e[A2][A2][A2]1.3
ACT:ACETATE ION
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IPF:N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE
NA:SODIUM ION
2a4f[A2][A2][A2]1.9
AAU:(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE
2aid[A2][A2][A2]1.9
CL:CHLORIDE ION
THK:4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL
2anl[A][A][A]3.3
JE2:(4R)-3-{(2S,3S)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-PHENYLBUTANOYL}-5,5-DIMETHYL-N-(2-METHYLBENZYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE
2aoc[A2][A2][A2]1.3
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
NA:SODIUM ION
UNX:UNKNOWN ATOM OR ION
2aod[A2][A2][A2]1.4
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
UNX:UNKNOWN ATOM OR ION
2aoe[A2][A2][A2]1.54
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
ACY:ACETIC ACID
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
NA:SODIUM ION
2aof[A2][a][A2][a][A2][a]1.32
ACY:ACETIC ACID
CL:CHLORIDE ION
FRD:1-PHENYL-2-AMINOPROPANE
NA:SODIUM ION
NH2:AMINO GROUP
2aog[A2][A2][A2]1.1
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ACY:ACETIC ACID
GOL:GLYCEROL
UNX:UNKNOWN ATOM OR ION
2aoh[A2][a][A2][a][A2][a]1.42
CL:CHLORIDE ION
FRD:1-PHENYL-2-AMINOPROPANE
NA:SODIUM ION
2aoi[A2][a][A2][a][A2][a]1.4
FRD:1-PHENYL-2-AMINOPROPANE
NH2:AMINO GROUP
SO4:SULFATE ION
2aoj[A2][a][A2][a][A2][a]1.6
ACY:ACETIC ACID
DMS:DIMETHYL SULFOXIDE
FRD:1-PHENYL-2-AMINOPROPANE
GOL:GLYCEROL
NH2:AMINO GROUP
2apr[A][A][A]1.8
CA:CALCIUM ION
2aqu[A2][A2][A2]2
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
2asi[A][A][A]2.15
BMA:BETA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2avm[A2][A2][A2]1.1
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ACY:ACETIC ACID
GOL:GLYCEROL
2avo[A2][A2][A2]1.1
ACY:ACETIC ACID
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
SO4:SULFATE ION
2avq[A2][A2][A2]1.3
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
2avs[A2][A2][A2]1.1
ACY:ACETIC ACID
DMS:DIMETHYL SULFOXIDE
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
PO4:PHOSPHATE ION
SO4:SULFATE ION
2avv[A2][A2][A2]1.5
ACY:ACETIC ACID
CL:CHLORIDE ION
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
2az8[A2][A2][A2]2
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
2az9[A2][A2][A2]2.5
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
2azb[A2][A2][A2]2.03
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
2azc[A2][A2][A2]2.01
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
2b42[AB][AB][AB]2.5
2b60[A2][A2][A2]2.2
GOL:GLYCEROL
RIT:RITONAVIR
2b7f[A2][a][A2][a][A2][a]2.6
ACE:ACETYL GROUP
PO4:PHOSPHATE ION
STA:STATINE
2b7z[A2][A2][A2]2.2
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
2b8l[A][A][A]1.7
5HA:N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
2b8v[A][A][A]1.8
3BN:3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE
2bb9[A2][A2][A2]1.35
AKC:2-ETHOXYETHYL (1S,2S)-3-{(2S)-4-[(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
2bbb[A2][A2][A2]1.7
HH1:(3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
2bju[A][A][A]1.56
IH4:N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-PHENYLETHYL)
2bks[A][A][A]2.2
PZ1:(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE
2bkt[A][A][A]2.3
RPF:1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE
2bpv[A2][A2][A2]1.9
1IN:1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
2bpw[A2][A2][A2]2.8
1IN:1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
2bpx[A2][A2][A2]2.8
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
2bpy[A2][A2][A2]1.9
3IN:N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE
2bpz[A2][A2][A2]2.5
3IN:N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE
2bqv[A2][A2][A2]2.1
A1A:6-AMINO HEXANOIC ACID
2cej[A2][A2][A2]2.5
1AH:3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
2cem[A2][A2][A2]1.8
2AH:{(1S)-1-[N___sq___-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N___sq___-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER
2cen[A2][A2][A2]1.7
4AH:{(1S)-1-[N___sq___-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N___sq___-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER
2er0[A][a][A][a][A][a]3
CHS:4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID
IVA:ISOVALERIC ACID
2er6[A][a][A][a][A][a]2
PUK:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-L-PHENYLALANINE
2er7[A][a][A][a][A][a]1.6
BOC:TERT-BUTYL HYDROGEN CARBONATE
LOV:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
SO4:SULFATE ION
2er9[A][a][A][a][A][a]2.2
BOC:TERT-BUTYL HYDROGEN CARBONATE
STA:STATINE
2ewy[A][A][A]3.1
DBO:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-10-CARBOXAMIDE
2f3e[A][A][A]2.11
AXQ:{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5,8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
2f3f[A][A][A]2.3
AXF:(2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE
2f3k[A2][A2][A2]1.6
PO4:PHOSPHATE ION
RO1:(3S,4AS,8AS)-N-(TERT-BUTYL)-2-[(3S)-3-({3-(METHYLSULFONYL)-N-[(PYRIDIN-3-YLOXY)ACETYL]-L-VALYL}AMINO)-2-OXO-4-PHENYLBUTYL]DECAHYDROISOQUINOLINE-3-CARBOXAMIDE
2f80[A2][A2][A2]1.45
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
SO4:SULFATE ION
2f81[A2][A2][A2]1.25
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
2f8g[A2][A2][A2]1.22
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACY:ACETIC ACID
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
2fdd[A2][A2][A2]1.58
385:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE
2fde[A2][A2][A2]2.7
385:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE
K:POTASSIUM ION
2fdp[A][A][A]2.5
FRP:N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
2fgu[A2][A2][A2]2
ASN:ASPARAGINE
DIQ:2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
HPH:(2S)-2-AMINO-3-PHENYLPROPANE-1,1-DIOL
NTB:TERTIARY-BUTYLAMINE
PO4:PHOSPHATE ION
QNC:QUINOLINE-2-CARBOXYLIC ACID
2fgv[A2][A2][A2]1.5
ASN:ASPARAGINE
DIQ:2-METHYL-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
HPH:(2S)-2-AMINO-3-PHENYLPROPANE-1,1-DIOL
NTB:TERTIARY-BUTYLAMINE
PO4:PHOSPHATE ION
QNC:QUINOLINE-2-CARBOXYLIC ACID
2fiv[A2][a2][A2][a2][A2][a2]2
ACE:ACETYL GROUP
ALN:NAPHTHALEN-2-YL-3-ALANINE
NH2:AMINO GROUP
SO4:SULFATE ION
STA:STATINE
2fle[A2][A2][A2]1.9
AI:(2S,2___sq___S)-N,N___sq___-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]
GOL:GLYCEROL
2fmb[A2][A2][A2]1.8
LP1:4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOICACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
2fns[A2][a][A2][a][A2][a]1.85
ACT:ACETATE ION
PO4:PHOSPHATE ION
2fnt[A2][a][A2][a][A2][a]1.44
ACT:ACETATE ION
PO4:PHOSPHATE ION
2fs4[A][A][A]2.2
PZ1:(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE
2fxd[A2][A2][A2]1.6
ACT:ACETATE ION
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
SO4:SULFATE ION
2fxe[A2][A2][A2]1.8
ACT:ACETATE ION
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
GOL:GLYCEROL
SO4:SULFATE ION
2g1n[A][A][A]2.9
1IG:N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2g1o[A][A][A]2.7
2IG:6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2g1r[A][A][A]2.42
3IG:N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2g1s[A][A][A]2.5
4IG:(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2g1y[A][A][A]2.5
5IG:6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2g20[A][A][A]2.4
L1A:N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE
2g21[A][A][A]2.2
L1B:7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
2g22[A][A][A]2.5
6IG:6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2g24[A][A][A]1.9
7IG:5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE
2g26[A][A][A]2.1
3LG:(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETIC ACID
2g27[A][A][A]2.9
4LG:METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE
2g69[A2][A2][A2]1.35
2g94[A][A][A]1.86
ZPQ:N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
2h6s[A][A][A]2.2
ZN:ZINC ION
2h6t[A][a][A][a][A][a]1.9
IVA:ISOVALERIC ACID
STA:STATINE
ZN:ZINC ION
2hah[A2][A2][A2]1.7
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
2hb2[A2][A2][A2]2.3
2hb3[A2][A2][A2]1.35
CL:CHLORIDE ION
GOL:GLYCEROL
GRL:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
NA:SODIUM ION
2hb4[A2][A2][A2]2.15
MG:MAGNESIUM ION
PGR:R-1,2-PROPANEDIOL
2hc0[A2][A2][A2]1.3
AB2:[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE
BR:BROMIDE ION
2hiz[A][A][A]2.5
LIJ:BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
PO4:PHOSPHATE ION
2hm1[A][A][A]2.2
LIQ:N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
2hpe[A2][A2][A2]2
2hpf[A2][A2][A2]3
2hs1[A2][A2][A2]0.84
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
2hs2[A2][A2][A2]1.22
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
2i0a[A2][A2][A2]1.8
GOL:GLYCEROL
MUI:(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
PO4:PHOSPHATE ION
2i0d[A2][A2][A2]1.95
ACT:ACETATE ION
MUT:(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
PO4:PHOSPHATE ION
2i1a[A2][A2][A2]2.3
2i4d[A2][A2][A2]1.5
QFI:({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID
2i4q[A2][A2][A2]2.3
UA4:(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
2i4u[A2][A2][A2]1.5
DJR:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE
2i4v[A2][A2][A2]1.5
DJR:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE
2i4w[A2][A2][A2]1.55
KGQ:DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE
2i4x[A2][A2][A2]1.55
KGQ:DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE
2idw[A2][A2][A2]1.1
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACY:ACETIC ACID
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PO4:PHOSPHATE ION
2ien[A2][A2][A2]1.3
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACY:ACETIC ACID
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
2ieo[A2][A2][A2]1.53
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
2igx[A][A][A]1.7
A1T:5-PENTYL-N-{[4___sq___-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]PYRIDINE-2-CARBOXAMIDE
2igy[A][A][A]2.6
A2T:N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE
2iko[A6][A6][A6]1.9
7IG:5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE
2iku[A6][A6][A6]2.6
LIY:6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE
2il2[A6][A6][A6]2.24
CIT:CITRIC ACID
LIX:N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE
2iqg[A][A][A]1.7
F2I:N___sq___-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
2irz[A][A][A]1.8
I02:3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE
2is0[A][A][A]2.2
I03:(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE
2j9j[AB][a][A2][a][A2][a]1.04
ABA:ALPHA-AMINOBUTYRIC ACID
ACT:ACETATE ION
GOL:GLYCEROL
JG3:1-[(2S,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-L-PROLINE
NLE:NORLEUCINE
SLZ:L-THIALYSINE
SO4:SULFATE ION
VME:METHYL L-VALINATE
2j9k[A2][A2][A2]1.2
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
ACT:ACETATE ION
GOL:GLYCEROL
NLE:NORLEUCINE
SLZ:L-THIALYSINE
SO4:SULFATE ION
2je4[A2][a][A2][a][A2][a]1.07
ACT:ACETATE ION
DBU:(2Z)-2-AMINOBUT-2-ENOIC ACID
GOL:GLYCEROL
JG3:1-[(2S,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-L-PROLINE
NLE:NORLEUCINE
SO4:SULFATE ION
VME:METHYL L-VALINATE
2jji[A][A][A]1.57
0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
2jjj[A][A][A]1
0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
2jxr[A][A][A]2.4
2Z3:N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANYL-N-[(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-(METHYLAMINO)-4-OXOBUTYL]-L-NORLEUCINAMIDE
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2jys[A][A][A]NOTAPPLICABLE.
2mip[A2][a2][A2][a2][A2][a2]2.2
NH2:AMINO GROUP
2nmy[A2][A2][A2]1.1
CL:CHLORIDE ION
NA:SODIUM ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
SO4:SULFATE ION
2nmz[A2][A2][A2]0.97
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
SO4:SULFATE ION
2nnk[A2][A2][A2]1.25
ACY:ACETIC ACID
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
2nnp[A2][A2][A2]1.2
ACY:ACETIC ACID
GOL:GLYCEROL
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
SO4:SULFATE ION
2nph[A2][ab][A2][ab][A2][ab]1.65
2nr6[ABC][ABC][A2B]2.81
CSX:S-OXY CYSTEINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
ZN:ZINC ION
2ntr[A][A][A]1.8
L00:(2R)-2-(5-{3-CHLORO-6-((2-METHOXYETHYL){[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-2-[METHYL(METHYLSULFONYL)AMINO]PYRID IN-4-YL}-1,3,4-OXADIAZOL-2-YL)-1-PHENYLPROPAN-2-AMINE
2nxd[A2][a][A2][a][A2][a]2
2nxl[A2][a][A2][a][A2][a]2
PO4:PHOSPHATE ION
2nxm[A2][a][A2][a][A2][a]2.25
2o40[A][A][A]1.65
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
2o4k[A2][A2][A2]1.6
CL:CHLORIDE ION
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
2o4l[A2][A2][A2]1.33
CL:CHLORIDE ION
GOL:GLYCEROL
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
2o4n[A2][A2][A2]2
GOL:GLYCEROL
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
2o4p[A2][A2][A2]1.8
GOL:GLYCEROL
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
2o4s[A2][A2][A2]1.54
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
CL:CHLORIDE ION
GOL:GLYCEROL
2oah[A2][A2][A2]1.8
QIN:N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
2of0[A][A][A]2.25
CMZ:(2S)-1-(2,5-DIMETHYLPHENOXY)-3-MORPHOLIN-4-YLPROPAN-2-OL
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
2ohk[A][A][A]2.2
1SQ:ISOQUINOLIN-1-AMINE
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
2ohl[A][A][A]2.65
2AQ:QUINOLIN-2-AMINE
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
2ohm[A][A][A]2.7
8AP:N~3~-BENZYLPYRIDINE-2,3-DIAMINE
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
2ohn[A][A][A]2.15
4FP:4-(4-FLUOROBENZYL)PIPERIDINE
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
2ohp[A][A][A]2.25
6IP:6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
2ohq[A][A][A]2.1
7IP:6-[2-(3___sq___-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOD:IODIDE ION
2ohr[A][A][A]2.25
8IP:N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOD:IODIDE ION
2ohs[A][A][A]2.45
9IP:N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
2oht[A][A][A]2.3
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
IP6:N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE
2ohu[A][A][A]2.35
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
IP7:N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE
2p3a[A2][A2][A2]1.75
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2p3b[AB][A2][A2]2.1
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2p3c[A2][A2][A2]2.1
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
ACY:ACETIC ACID
CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE
2p3d[A2][A2][A2]2.8
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
2p4j[A][A][A]2.5
23I:N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
2p83[A][A][A]2.5
MR0:N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE
PO4:PHOSPHATE ION
2p8h[A][A][A]1.8
MY9:N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N___sq___-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE
2pc0[A2][A2][A2]1.4
MG:MAGNESIUM ION
PGR:R-1,2-PROPANEDIOL
2ph6[A][A][A]2
712:3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE
SO4:SULFATE ION
2ph8[A][A][A]1.7
35A:N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE
SO4:SULFATE ION
2pk5[A2][A2][A2]1.9
075:(4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY-3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]-3-(METHYL SULFONYL)-L-ALANYL}AMINO)-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
GOL:GLYCEROL
2pk6[A2][A2][A2]1.45
GOL:GLYCEROL
O33:(4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY-3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]-S-METHYL- L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
2pma[A][A][A]1.89
ACT:ACETATE ION
FMT:FORMIC ACID
2pqz[A2][A2][A2]1.55
CL:CHLORIDE ION
G0G:N,N___sq___-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)
2psg[A2][A2][A2]1.8
SEP:PHOSPHOSERINE
2psu[A2][A2][A2]1.93
ACT:ACETATE ION
MUU:N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N___sq___-METHYLSUCCINAMIDE
PO4:PHOSPHATE ION
2psv[A2][A2][A2]1.75
ACT:ACETATE ION
MUV:N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N___sq___-METHYLSUCCINAMIDE
PO4:PHOSPHATE ION
2pwc[A2][A2][A2]1.78
CL:CHLORIDE ION
G3G:N,N___sq___-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)
GOL:GLYCEROL
2pwr[A2][A2][A2]1.5
CL:CHLORIDE ION
G4G:4,4___sq___-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE
GOL:GLYCEROL
2pym[A2][A2][A2]1.9
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
2pyn[A2][A2][A2]1.85
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
2q11[A][A][A]2.4
XX4:3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
2q15[A2][A2][A2]2.4
3MR:(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
2q3k[A2][A2][A2]2
ACT:ACETATE ION
MUW:N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
PO4:PHOSPHATE ION
2q54[A2][A2][A2]1.85
ACT:ACETATE ION
MU1:N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE
PO4:PHOSPHATE ION
2q55[A2][A2][A2]1.9
MU0:(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE
PO4:PHOSPHATE ION
2q5k[A2][A2][A2]1.95
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
PO4:PHOSPHATE ION
2q63[A2][A2][A2]2.2
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
2q64[A2][A2][A2]2.5
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
2qak[A2][A2][A2]2.2
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
2qci[A2][A2][A2]1.2
065:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
2qd6[A2][A2][A2]1.28
065:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
2qd7[A2][A2][A2]1.11
065:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PO4:PHOSPHATE ION
2qd8[A2][A2][A2]1.35
065:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
2qhc[A2][A2][A2]2.8
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
BME:BETA-MERCAPTOETHANOL
2qhy[A2][A2][A2]1.85
ACT:ACETATE ION
MZ1:N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE
PO4:PHOSPHATE ION
2qhz[A2][A2][A2]1.85
MZ2:(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE
PO4:PHOSPHATE ION
2qi0[A2][A2][A2]2.1
MZ3:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE
PO4:PHOSPHATE ION
2qi1[A2][A2][A2]2
MZ4:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE
PO4:PHOSPHATE ION
2qi3[A2][A2][A2]1.95
MZ5:(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE
PO4:PHOSPHATE ION
2qi4[A2][A2][A2]1.8
ACT:ACETATE ION
MZ6:N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE
PO4:PHOSPHATE ION
2qi5[A2][A2][A2]1.85
MZ7:N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE
PO4:PHOSPHATE ION
2qi6[A2][A2][A2]1.85
MZ8:N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE
PO4:PHOSPHATE ION
2qi7[A2][A2][A2]1.85
ACT:ACETATE ION
MZ9:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
PO4:PHOSPHATE ION
2qk5[A][A][A]2.2
CS5:N___sq___-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
2qmd[A][A][A]1.65
CS7:N___sq___-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
TAR:D(-)-TARTARIC ACID
2qmf[A][A][A]1.75
CS9:N___sq___-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
TAR:D(-)-TARTARIC ACID
2qmg[A][A][A]1.89
SC6:N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
TAR:D(-)-TARTARIC ACID
2qmp[A2][A2][A2]1.8
A00:N-[(5S)-5-{[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO}-6-HYDROXYHEXYL]-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
2qnn[A2][A2][A2]1.48
CL:CHLORIDE ION
GOL:GLYCEROL
QN1:4,4___sq___-[(3S,4S)-PYRROLIDINE-3,4-DIYLBIS({[4-(TRIFLUOROMETHYL)BENZYL]IMINO}SULFONYL)]DIBENZAMIDE
2qnp[A2][A2][A2]1.41
CL:CHLORIDE ION
QN2:N,N___sq___-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[N-(4-IODOBENZYL)BENZENESULFONAMIDE]
2qnq[A2][A2][A2]2.3
CL:CHLORIDE ION
QN3:N,N___sq___-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYL-2-CHLOROBENZENESULFONAMIDE)
2qp8[A][A][A]1.5
SC7:N___sq___-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
TAR:D(-)-TARTARIC ACID
2qu2[A][A][A]2.6
251:N-[AMINO(IMINO)METHYL]-2-(2,5-DIPHENYL-1H-PYRROL-1-YL)ACETAMIDE
2qu3[A][A][A]2
462:N-[AMINO(IMINO)METHYL]-2-[2-(2-CHLOROPHENYL)-4-(4-PROPOXYPHENYL)-3-THIENYL]ACETAMIDE
2qzk[A][A][A]1.8
I21:2-[(5R)-5-AMINO-5-METHYL-4,16-DIOXO-14-PHENYL-3-OXA-15-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,12,14,17,19-OCTAEN-19-YL]BENZONITRILE
2qzl[A][A][A]1.8
IXS:N-[(1S)-1-BENZYL-2-{[(1S)-2-(ISOBUTYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}ETHYL]-N___sq___-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE
2qzw[A][A][A]2.05
2qzx[A][a][A][a][A][a]2.5
IVA:ISOVALERIC ACID
STA:STATINE
2r38[A2][A2][A2]1.81
CL:CHLORIDE ION
G4G:4,4___sq___-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE
2r3t[A2][A2][A2]1.8
CL:CHLORIDE ION
G4G:4,4___sq___-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE
2r3w[A2][A2][A2]1.92
CL:CHLORIDE ION
G3G:N,N___sq___-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)
2r43[A2][A2][A2]1.58
CL:CHLORIDE ION
G3G:N,N___sq___-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)
GOL:GLYCEROL
2r5p[A2][A2][A2]2.3
CL:CHLORIDE ION
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
NA:SODIUM ION
2r5q[A2][A2][A2]2.3
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
2r8n[A2][A2][A2]1.2
GOL:GLYCEROL
2r9b[A][a][A][a][A][a]2.8
DCL:2-AMINO-4-METHYL-PENTAN-1-OL
2ren[A][A][A]2.5
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2rkf[A2][A2][A2]1.8
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
GOL:GLYCEROL
SO4:SULFATE ION
2rkg[A2][A2][A2]1.8
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
GOL:GLYCEROL
2rmp[A][a][A][a][A][a]2.7
BMA:BETA-D-MANNOPYRANOSE
IVA:ISOVALERIC ACID
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
STA:STATINE
2rsp[A2][A2][A2]2
2sam[A2][A2][A2]2.4
EPN:3-(4-NITRO-PHENOXY)-PROPAN-1-OL
2upj[A2][A2][A2]3
U02:[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-METHYL}-PHENYLCARBAMOYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
2uxz[A2][A2][A2]1.75
HI1:METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
2uy0[A2][A2][A2]1.76
HV1:METHYL [(1S)-1-({2-[(4R)-4-BENZYL-4-HYDROXY-5-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
2v00[A][A][A]1.55
ACT:ACETATE ION
GOL:GLYCEROL
V15:2-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-4(3H)-ONE
2v0z[A][A][A]2.2
C41:ALISKIREN
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
2v10[A][A][A]3.1
C61:(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE
2v11[A][A][A]3.1
C80:(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE
2v12[A2][A2][A2]3.2
C39:N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
2v13[A][A][A]2.8
C40:N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
2v16[A6][A6][A6]2.8
C47:METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE
2va5[A2][A2][A2]2.75
C8C:2-AMINO-6-[2-(1H-INDOL-6-YL)ETHYL]PYRIMIDIN-4(3H)-ONE
IOD:IODIDE ION
2va6[A2][A2][A2]2.5
H24:(6S)-2-AMINO-6-(3___sq___-METHOXYBIPHENYL-3-YL)-3,6-DIMETHYL-5,6-DIHYDROPYRIMIDIN-4(3H)-ONE
IOD:IODIDE ION
2va7[A2][A2][A2]2.2
C27:(6R)-2-AMINO-6-[2-(3___sq___-METHOXYBIPHENYL-3-YL)ETHYL]-3,6-DIMETHYL-5,6-DIHYDROPYRIMIDIN-4(3H)-ONE
IOD:IODIDE ION
2vie[A][A][A]1.9
VG0:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(1,1,5-TRIMETHYLHEXYL)AMINO]PROPYL}-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE
2vij[A][A][A]1.6
C44:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(1S)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLAMINO]PROPYL}-3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-5-(ETHYLAMINO)BENZAMIDE
2viy[A][A][A]1.82
VG3:N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(PENTYLSULFONYL)BENZAMIDE
2viz[A][A][A]1.6
VG4:N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(2-OXO-2,3-DIHYDRO-1H-PYRROL-1-YL)-5-PROPOXYBENZAMIDE
2vj6[A][A][A]1.8
VG5:N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE
2vj7[A][A][A]1.6
VG6:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE
2vj9[A][A][A]1.6
VG7:N-[(1S,2R)-1-BENZYL-3-(CYCLOHEXYLAMINO)-2-HYDROXYPROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE
2vkm[A][A][A]2.05
BSD:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE
2vnm[A][A][A]1.79
CM8:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-5-(ETHYLAMINO)BENZAMIDE
2vnn[A][A][A]1.87
CM7:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-7-ETHYL-1-METHYL-3,4-DIHYDRO-1H-[1,2,5]THIADIAZEPINO[3,4,5-HI]INDOLE-9-CARBOXAMIDE 2,2-DIOXIDE
2vs2[A][A][A]2
0QS:N~2~-[(2R)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-{(1R)-1-(CYCLOHEXYLMETHYL)-3,3-DIFLUORO-2,2-DIHYDROXY-4-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-OXOBUTYL}-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANINAMIDE
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
2wea[A2][A2][A2]1.25
MAN:ALPHA-D-MANNOPYRANOSE
PP6:METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]
SO4:SULFATE ION
2web[A2][A2][A2]1.5
MAN:ALPHA-D-MANNOPYRANOSE
PP4:METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOATE
SO4:SULFATE ION
2wec[A2][A2][A2]1.5
MAN:ALPHA-D-MANNOPYRANOSE
PP5:METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
SO4:SULFATE ION
2wed[A2][A2][A2]1.5
MAN:ALPHA-D-MANNOPYRANOSE
PP6:METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]
SO4:SULFATE ION
2wez[A][A][A]1.7
ZYE:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE
2wf0[A][A][A]1.6
ZY0:N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE
2wf1[A][A][A]1.6
ZY1:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-7-ETHYL-1-METHYL-3,4-DIHYDRO-1H-[1,2,5]THIADIAZEPINO[3,4,5-HI]INDOLE-9-CARBOXAMIDE 2,2-DIOXIDE
2wf2[A][A][A]1.8
ZY2:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE
2wf3[A][A][A]2.08
GOL:GLYCEROL
ZY3:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE
2wf4[A][A][A]1.8
ZY4:N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE
2whh[A][A][A]1.69
GLU:GLUTAMIC ACID
PPN:PARA-NITROPHENYLALANINE
2wjo[A][A][A]2.5
QUD:2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM
2wkz[A2][A2][A2]1.7
5AH:METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
2wl0[A2][A2][A2]1.9
5AH:METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
2xfi[A][A][A]1.73
XFI:N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE
2xfj[A][A][A]1.8
VG5:N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE
2xfk[A][A][A]1.8
AA9:N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE
2xye[A2][A2][A2]2
CXG:METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
2xyf[A2][A2][A2]1.8
G40:METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
2z4o[A2][A2][A2]1.6
065:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
2z54[A2][A2][A2]2.31
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
BME:BETA-MERCAPTOETHANOL
2zdz[A][A][A]2
310:N-CARBAMIMIDOYL-2-[2-(2-CHLOROPHENYL)-5-[4-(4-ETHANOYLPHENOXY)PHENYL]PYRROL-1-YL]ETHANAMIDE
2ze1[A][A][A]2.2
411:3-BROMO-N-[4-[1-(2-CARBAMIMIDAMIDO-2-OXO-ETHYL)-5-PHENYL-PYRROL-2-YL]PHENYL]BENZAMIDE
2zga[A2][A2][A2]1.65
YDP:(3S,4S),-3,4-BIS-[(4-CARBAMOYL-BENZENSULFONYL)-(3-METHYL-BUT-2-ENYL)-AMINO]-PYRROLIDINE
2zhr[A][a][A][a][A][a]2.5
1OL:(2R,4S,5S)-5-AMINO-4-HYDROXY-2,7-DIMETHYLOCTANOIC ACID
2zhs[A][A][A]2.7
2zht[A][A][A]2.35
2zhu[A][A][A]2.4
2zhv[A][A][A]1.85
2zjh[A][A][A]2.6
F1H:N-(1-BENZYLPIPERIDIN-4-YL)-4-SULFANYLBUTANAMIDE
2zji[A][A][A]2.3
F1I:N-[1-(2,6-DIMETHOXYBENZYL)PIPERIDIN-4-YL]-4-SULFANYLBUTANAMIDE
2zjj[A][A][A]2.2
F1J:(2S)-4-(4-FLUOROBENZYL)-N-(2-SULFANYLETHYL)PIPERAZINE-2-CARBOXAMIDE
2zjk[A][A][A]3
F1K:(2S)-4-(4-FLUOROBENZYL)-N-(3-SULFANYLPROPYL)PIPERAZINE-2-CARBOXAMIDE
2zjl[A][A][A]2.1
F1L:N-[1-(5-BROMO-2,3-DIMETHOXYBENZYL)PIPERIDIN-4-YL]-4-SULFANYLBUTANAMIDE
2zjm[A][A][A]1.9
F1M:N-{1-[5-CHLORO-3-METHOXY-2-(1-METHYLETHOXY)BENZYL]PIPERIDIN-4-YL}-2-(4-SULFAMOYLPHENOXY)ACETAMIDE
2zjn[A][A][A]2.7
F1N:N-{1-[5-CHLORO-3-METHOXY-2-(1-METHYLETHOXY)BENZYL]PIPERIDIN-4-YL}-2-(2-METHYL-4-SULFAMOYLPHENOXY)ACETAMIDE
2zye[A2][A2][A2]1.9
KNI:(4R)-N-TERT-BUTYL-3-[(2S,3S)-2-HYDROXY-3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]-S-METHYL-L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3a2o[A2][A2][A2]0.88
GOL:GLYCEROL
KNJ:(4R)-3-[(2S,3S)-3-{[(4-AMINO-2,6-DIMETHYLPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-5,5-DIMETHYL-N-(2-METHYLPROP -2-EN-1-YL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3aid[A2][A2][A2]2.5
ARQ:BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY-3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]-4-PHENYL-BUTYL]-AMMONIUM
3app[A][A][A]1.8
3apr[A][a][A][a][A][a]1.8
PUK:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-L-PHENYLALANINE
3aup[A4][A4][A4]1.91
3b7v[A2][a][A2][a][A2][a]1.46
CL:CHLORIDE ION
GOL:GLYCEROL
LNT:N-[(2S)-2-AMINO-1,1-DIHYDROXY-4-METHYLPENTYL]-L-THREONINE
NA:SODIUM ION
3b80[A2][a][A2][a][A2][a]1.5
CL:CHLORIDE ION
LNT:N-[(2S)-2-AMINO-1,1-DIHYDROXY-4-METHYLPENTYL]-L-THREONINE
NA:SODIUM ION
3bc4[A2][A2][A2]1.82
DMS:DIMETHYL SULFOXIDE
LLG:2-AMINOETHYL NAPHTHALEN-1-YLACETATE
3bgb[A2][A2][A2]1.9
CL:CHLORIDE ION
LJG:N,N___sq___-(IMINODIETHANE-2,1-DIYL)BIS[4-AMINO-N-(2-METHYLPROPYL)BENZENESULFONAMIDE]
3bgc[A2][A2][A2]1.8
CL:CHLORIDE ION
LJH:N,N___sq___-(IMINODIETHANE-2,1-DIYL)BIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)
3bhe[A2][A2][A2]1.75
BZN:N-({(3R,4R)-4-[(BENZYLOXY)METHYL]PYRROLIDIN-3-YL}METHYL)-N-(2-METHYLPROPYL)BENZENESULFONAMIDE
3bra[A][A][A]2.3
AEF:4-(2-AMINOETHYL)PHENOL
3buf[A][A][A]2.3
AEG:4-[(2R)-2-AMINOPROPYL]PHENOL
3bug[A][A][A]2.5
AEH:4-(2-AMINOETHYL)-2-ETHYLPHENOL
3buh[A][A][A]2.3
AED:4-(2-AMINOETHYL)-2-CYCLOHEXYLPHENOL
3bva[A2][A2][A2]1.05
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
GOL:GLYCEROL
3bvb[A2][A2][A2]1.3
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3bxr[A2][A2][A2]1.6
ABA:ALPHA-AMINOBUTYRIC ACID
DRR:(9S,12S)-9-(1-METHYLETHYL)-N-[(8S,11S)-8-[(1S)-1-METHYLPROPYL]-7,10-DIOXO-2-OXA-6,9-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-11-YL]-7,10-DIOXO-2-OXA-8,11-DIAZABICYCLO[12.2.2]OCTADECA-1(16),14,17-TRIENE-12-CARBOXAMIDE
SO4:SULFATE ION
3bxs[A2][A2][A2]1.6
ABA:ALPHA-AMINOBUTYRIC ACID
DRS:(9S,12S)-9-(1-METHYLETHYL)-7,10-DIOXO-2-OXA-8,11-DIAZABICYCLO[12.2.2]OCTADECA-1(16),14,17-TRIENE-12-CARBOXYLIC ACID
SO4:SULFATE ION
3c9x[A][A][A]1.7
GOL:GLYCEROL
PCA:PYROGLUTAMIC ACID
3cib[A][A][A]1.72
314:N___sq___-[(1S,2R)-2-[(2R,4S)-4-BENZYLPIPERIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE
TAR:D(-)-TARTARIC ACID
3cic[A][A][A]1.75
316:N___sq___-[(1S,2S)-2-[(2S)-4-BENZYL-3-OXOPIPERAZIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE
TAR:D(-)-TARTARIC ACID
3cid[A][A][A]1.8
318:N___sq___-[(1S,2S)-2-[(4S)-1-BENZYL-5-OXOIMIDAZOLIDIN-4-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE
TAR:D(-)-TARTARIC ACID
3ckp[A][A][A]2.3
012:(4S)-N-[(1S,2R)-1-BENZYL-3-{[3-(DIMETHYLAMINO)BENZYL]AMINO}-2-HYDROXYPROPYL]-1-(3-METHOXYBENZYL)-2-OXOIMIDAZOLIDINE-4-CARBOXAMIDE
CL:CHLORIDE ION
3ckr[A][A][A]2.7
009:(4S)-1,4-DIBENZYL-N-[(1S,2R)-1-BENZYL-3-{[3-(DIMETHYLAMINO)BENZYL]AMINO}-2-HYDROXYPROPYL]-2-OXOIMIDAZOLIDINE-4-CARBOXAMIDE
3ckt[A2][A2][A2]1.65
CL:CHLORIDE ION
YDP:(3S,4S),-3,4-BIS-[(4-CARBAMOYL-BENZENSULFONYL)-(3-METHYL-BUT-2-ENYL)-AMINO]-PYRROLIDINE
3cms[A][A][A]2
3cyw[A2][A2][A2]1.4
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
3cyx[A2][A2][A2]1.2
ACY:ACETIC ACID
GOL:GLYCEROL
NA:SODIUM ION
PO4:PHOSPHATE ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3d1x[A2][A2][A2]1.05
CL:CHLORIDE ION
GOL:GLYCEROL
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3d1y[A2][A2][A2]1.05
CL:CHLORIDE ION
NA:SODIUM ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3d1z[A2][A2][A2]1.3
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACY:ACETIC ACID
CL:CHLORIDE ION
3d20[A2][A2][A2]1.05
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
3d3t[A2][a][A2][a][A2][a]2.8
3d91[A][A][A]2.2
DMS:DIMETHYL SULFOXIDE
REM:NALPHA-[(2S)-2-BENZYL-3-(TERT-BUTYLSULFONYL)PROPANOYL]-N-[(1S,2R,3S)-1-(CYCLOHEXYLMETHYL)-3-CYCLOPROPYL-2,3-DIHYDROXYPROPYL]-L-HISTIDINAMIDE
3dck[A2][A2][A2]1.8
ABA:ALPHA-AMINOBUTYRIC ACID
KVI:(2S)-2-{[(2R,5S)-5-{[(2S,3S)-2-{[(2S,3R)-2-(ACETYLAMINO)-3-HYDROXYBUTANOYL]AMINO}-3-METHYLPENTANOYL]AMINO}-2-BUTYL-4-OXONONANOYL]AMINO}-N~1~-[(2S)-1-AMINO-5-CARBAMIMIDAMIDO-1-OXOPENTAN-2-YL]PENTANEDIAMIDE
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3dcr[A2][A2][A2]1.4
ABA:ALPHA-AMINOBUTYRIC ACID
KVS:N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-ACETYL-L-THREONYL)AMINO]-3-METHYLPENT-4-ENOYL}AMINO)-2-BUTYL-4,4-DIHYDROXYNONANOYL]-L-GLUTAMINYL-L-ARGININAMIDE
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3djk[A2][A2][A2]1
CL:CHLORIDE ION
G55:(5R)-1,3-DIOXEPAN-5-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
NA:SODIUM ION
3dk1[A2][A2][A2]1.07
CL:CHLORIDE ION
G05:(4AR,6R,7AS)-HEXAHYDRO-4AH-CYCLOPENTA[B][1,4]DIOXIN-6-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
NA:SODIUM ION
3dm6[A][A][A]2.6
757:5-[[(2S)-2-[[(3R,4S)-5-(3,5-DIFLUOROPHENOXY)-3-HYDROXY-4-[[3-(METHYL-METHYLSULFONYL-AMINO)-5-[[(1R)-1-PHENYLETHYL]CARBAMOYL]PHENYL]CARBONYLAMINO]PENTANOYL]AMINO]-3-METHYL-BUTANOYL]AMINO]BENZENE-1,3-DICARBOXYLIC ACID
IPA:ISOPROPYL ALCOHOL
3dox[A][ab][A][ab][A][ab]2
3duy[A][A][A]1.97
AFJ:(2R,4S,5S)-N-BUTYL-4-HYDROXY-2,7-DIMETHYL-5-{[N-(4-METHYLPENTANOYL)-L-METHIONYL]AMINO}OCTANAMIDE
3dv1[A][A][A]2.1
AR9:(2R,4S)-N-BUTYL-4-[(2S,5S,7R)-2,7-DIMETHYL-3,15-DIOXO-1,4-DIAZACYCLOPENTADECAN-5-YL]-4-HYDROXY-2-METHYLBUTANAMIDE
3dv5[A][A][A]2.1
BAV:(3S,14R,16S)-16-[(1R)-1-HYDROXY-2-{[3-(1-METHYLETHYL)BENZYL]AMINO}ETHYL]-3,4,14-TRIMETHYL-1,4-DIAZACYCLOHEXADECANE-2,5-DIONE
3ebz[A2][A2][A2]1.2
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
IMD:IMIDAZOLE
NA:SODIUM ION
ZN:ZINC ION
3ec0[A2][A2][A2]1.18
CL:CHLORIDE ION
GRL:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
IMD:IMIDAZOLE
NA:SODIUM ION
ZN:ZINC ION
3ecg[A2][A2][A2]1.18
065:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
CL:CHLORIDE ION
IMD:IMIDAZOLE
NA:SODIUM ION
ZN:ZINC ION
3ekp[A2][A2][A2]2.15
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
ACT:ACETATE ION
PO4:PHOSPHATE ION
3ekq[A2][A2][A2]2.2
PO4:PHOSPHATE ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3ekt[A2][A2][A2]1.97
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3ekv[A2][A2][A2]1.75
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
ACT:ACETATE ION
3ekw[A2][A2][A2]1.6
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
PO4:PHOSPHATE ION
3ekx[A2][A2][A2]1.97
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
ACT:ACETATE ION
3eky[A2][A2][A2]1.8
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
PO4:PHOSPHATE ION
3el0[A2][A2][A2]2
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3el1[A2][A2][A2]1.7
ACT:ACETATE ION
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
3el4[A2][A2][A2]2
ACT:ACETATE ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3el5[A2][A2][A2]1.6
1UN:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
ACT:ACETATE ION
3el9[A2][A2][A2]1.6
ACT:ACETATE ION
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
PO4:PHOSPHATE ION
3em3[A2][A2][A2]2.2
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
ACT:ACETATE ION
3em4[A2][A2][A2]2.1
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
PO4:PHOSPHATE ION
3em6[A2][A2][A2]2.1
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3emy[A][a][A][a][A][a]1.85
IVA:ISOVALERIC ACID
PCA:PYROGLUTAMIC ACID
STA:STATINE
3er3[A][A][A]2
0EL:6-AMMONIO-N-[(2R,4R,5R)-5-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANYL]AMINO}-6-CYCLOHEXYL-4-HYDROXY-2-(2-METHYLPROPYL)HEXANOYL]-L-NORLEUCYLPHENYLALANINE
3er5[A][a][A][a][A][a]1.8
STA:STATINE
3exo[A][A][A]2.1
5MS:N-{2-METHYL-5-[(6-PHENYLPYRIMIDIN-4-YL)AMINO]PHENYL}METHANESULFONAMIDE
GOL:GLYCEROL
SO4:SULFATE ION
3f9q[A2][A2][A2]1.9
3fiv[A2][a2][A2][a2][A2][a2]1.85
ACE:ACETYL GROUP
ALN:NAPHTHALEN-2-YL-3-ALANINE
CSD:3-SULFINOALANINE
NH2:AMINO GROUP
SO4:SULFATE ION
3fkt[A2][A2][A2]1.9
SII:N-(4-{[4-(CYCLOHEXYLAMINO)-1-(3-FLUOROPHENYL)-2-OXO-1,3,8-TRIAZASPIRO[4.5]DEC-3-EN-8-YL]METHYL}PHENYL)ACETAMIDE
3fns[A2][A2][A2]2.5
ZN:ZINC ION
3fnt[A2][a2][A2][a2][A2][a2]3.3
EDO:1,2-ETHANEDIOL
IVA:ISOVALERIC ACID
STA:STATINE
3fnu[A2][A2][A2]3
006:(4R)-3-[(2S,3S)-3-{[(2,6-DIMETHYLPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3fsm[A][A][A]1.6
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
DAL:D-ALANINE
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3fv3[A][a][A][a][A][a]1.85
GOL:GLYCEROL
IVA:ISOVALERIC ACID
SO4:SULFATE ION
STA:STATINE
3fx5[A2][A2][A2]0.93
GOL:GLYCEROL
KNI:(4R)-N-TERT-BUTYL-3-[(2S,3S)-2-HYDROXY-3-({N-[(ISOQUINOLIN-5-YLOXY)ACETYL]-S-METHYL-L-CYSTEINYL}AMINO)-4-PHENYLBUTANOYL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3g6z[A][A][A]2
A7T:(1R,5S)-N-CYCLOPROPYL-7-{4-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PHENYL}-N-(2,3-DIMETHYLBENZYL)-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE-6-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3g70[A][A][A]2
A5T:(1R,5S)-7-{4-[3-(2-CHLORO-3,6-DIFLUOROPHENOXY)PROPYL]PHENYL}-N-CYCLOPROPYL-N-(2,3-DICHLOROBENZYL)-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE-6-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3g72[A][A][A]1.9
A6T:(1S,5R)-7-{4-[3-(2-CHLORO-3,6-DIFLUOROPHENOXY)PROPYL]PHENYL}-N-CYCLOPROPYL-N-(2,3-DICHLOROBENZYL)-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE-6-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3gga[A2][A2][A2]2.5
GGW:METHYL [(1S,4S,5S,7S,10S)-4-BENZYL-1,10-DI-TERT-BUTYL-5-HYDROXY-2,9,12-TRIOXO-7-(4-PYRIDIN-2-YLBENZYL)-13-OXA-3,8,11-TRIAZATETRADEC-1-YL]CARBAMATE
3ggu[A2][A2][A2]1.8
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
3ggv[A2][A2][A2]3.09
GGV:METHYL [(1S)-1-{[(1R,3S,4S)-3-HYDROXY-4-{[(2S)-2-(3-{[6-(1-HYDROXY-1-METHYLETHYL)PYRIDIN-2-YL]METHYL}-2-OXO-2,3-DIHYDRO-1H-IMIDAZOL-1-YL)-3,3-DIMETHYLBUTANOYL]AMINO}-5-PHENYL-1-(4-PYRIDIN-2-YLBENZYL)PENTYL]CARBAMOYL}-2,2-DIMETHYLPROPYL]CARBAMATE
3ggx[A2][A2][A2]2.7
GGX:METHYL [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-DIMETHYL-2-{3-[(6-METHYLPYRIDIN-2-YL)METHYL]-2-OXO-2,3-DIHYDRO-1H-IMIDAZOL-1-YL}BUTANOYL]AMINO}-3-HYDROXY-5-PHENYL-1-(4-PYRIDIN-2-YLBENZYL)PENTYL]CARBAMOYL}-2,2-DIMETHYLPROPYL]CARBAMATE
3gi0[A2][a2][A2][a2][A2][a2]1.8
ABA:ALPHA-AMINOBUTYRIC ACID
ACE:ACETYL GROUP
DAL:D-ALANINE
JG3:1-[(2S,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-L-PROLINE
NLE:NORLEUCINE
VME:METHYL L-VALINATE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3gi4[A2][A2][A2]1.85
ACT:ACETATE ION
K60:5S)-N-[(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO]-2-HYDROXY-1-(PHENYLMETHYL)PROPYL]-2-OXO-3-[3-(TR IFLUOROMETHYL)PHENYL]-5-OXAZOLIDINECARBOXAMIDE
PO4:PHOSPHATE ION
3gi5[A2][A2][A2]1.8
K62:(5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO]-2-HYDROXY-1-(PHENYLMETHYL)PR OPYL]-2-OXO-5-OXAZOLIDINECARBOXAMIDE
PO4:PHOSPHATE ION
3gi6[A2][A2][A2]1.84
D78:(5S)-N-[(1S,2R)-2-HYDROXY-3-[[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO]-1-(PHENYLMETHYL)PROPYL]-2-OXO-3-[3-(TRIF LUOROMETHYL)PHENYL]-5-OXAZOLIDINECARBOXAMIDE
PO4:PHOSPHATE ION
3gw5[A][A][A]2
72X:(3R)-3-[(1S)-1-(3-CHLOROPHENYL)-1-HYDROXY-5-METHOXYPENTYL]-N-{(1S)-2-CYCLOHEXYL-1-[(METHYLAMINO)METHYL]ETHYL}PIPERIDINE-1-CARBOXAMIDE
CL:CHLORIDE ION
GOL:GLYCEROL
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3h0b[A][A][A]2.7
B35:4-[(1S)-1-(3-FLUORO-4-METHOXYPHENYL)-2-(2-METHOXY-5-NITROPHENYL)ETHYL]-1H-IMIDAZOL-2-AMINE
3h5b[A2][A2][A2]1.29
031:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-([(4-METHOXYPHENYL)SULFONYL]{[(2R)-5-OXOPYRROLIDIN-2-YL]METHYL}AMINO)PROPYL]CARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3hau[A][A][A]1.3
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
NLE:NORLEUCINE
SMC:S-METHYLCYSTEINE
SO4:SULFATE ION
3haw[A][A][A]1.3
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
NLE:NORLEUCINE
SMC:S-METHYLCYSTEINE
SO4:SULFATE ION
3hbo[A][A][A]1.71
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
DAL:D-ALANINE
NLE:NORLEUCINE
SMC:S-METHYLCYSTEINE
3hd8[AB][AB][AB]2.39
3hdk[A][A][A]1.8
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
AIB:ALPHA-AMINOISOBUTYRIC ACID
NLE:NORLEUCINE
SMC:S-METHYLCYSTEINE
3hlo[A][A][A]1.6
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
DAL:D-ALANINE
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3hvg[A][A][A]2.26
EV0:2-AMINO-6-PROPYLPYRIMIDIN-4(3H)-ONE
GOL:GLYCEROL
3hvp[A2][A2][A2]2.8
ABA:ALPHA-AMINOBUTYRIC ACID
3hw1[A][A][A]2.48
EV2:3-PYRROLIDIN-1-YLQUINOXALIN-2-AMINE
GOL:GLYCEROL
3hzc[A][A][A]1.45
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
AIB:ALPHA-AMINOISOBUTYRIC ACID
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3i25[A][A][A]2.1
MV7:N-[(2S,3S,5R)-1-(3,5-DIFLUOROPHENOXY)-3-HYDROXY-5-(2-METHOXYETHOXY)-6-[[(2S)-3-METHYL-1-OXO-1-(PHENYLMETHYLAMINO)BUTAN-2-YL]AMINO]-6-OXO-HEXAN-2-YL]-5-(METHYL-METHYLSULFONYL-AMINO)-N___sq___-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE
3i2l[A][A][A]1.5
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
IIL:ISO-ISOLEUCINE
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3i6o[A2][A2][A2]1.17
GOL:GLYCEROL
GR6:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[(7E)-13-METHOXY-1,1-DIOXIDO-3,4,5,6,9,10-HEXAHYDRO-2H-11,1,2-BENZOXATHIAZACYCLOTRIDECIN-2-YL]PROPYL}CARBAMATE
IOD:IODIDE ION
NA:SODIUM ION
3i7e[A2][A2][A2]1.7
DJR:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE
3i8w[A2][A2][A2]1.7
CB5:COBALT BIS(1,2-DICARBOLLIDE)
CL:CHLORIDE ION
GOL:GLYCEROL
3ia9[A][A][A]1.3
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
NLE:NORLEUCINE
SO4:SULFATE ION
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3iaw[A][A][A]1.61
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
AIB:ALPHA-AMINOISOBUTYRIC ACID
NLE:NORLEUCINE
SO4:SULFATE ION
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3igb[A][A][A]2.24
454:8,8-DIPHENYL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE
3in3[A][A][A]2
472:(5S)-2-AMINO-3-METHYL-5-PYRIDIN-4-YL-5-(3-PYRIDIN-3-YLPHENYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3in4[A][A][A]2.3
BX2:(5S)-2-AMINO-5-(2,6-DIETHYLPYRIDIN-4-YL)-3-METHYL-5-(3-PYRIMIDIN-5-YLPHENYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3ind[A][A][A]2.25
593:(5S)-2-AMINO-3-METHYL-5-PHENYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3ine[A][A][A]2
X17:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1-YL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3inf[A][A][A]1.85
X45:(5S)-2-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-3-METHYL-5-(3-PYRIDIN-3-YLPHENYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3inh[A][A][A]1.8
569:(5R)-2-AMINO-5-(4-FLUORO-3-PYRIMIDIN-5-YLPHENYL)-3-METHYL-5-[4-(TRIFLUOROMETHOXY)PHENYL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3ivh[A][A][A]1.8
1LI:N-[(1S,2R)-3-{[1-(3-TERT-BUTYLPHENYL)CYCLOHEXYL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE
3ivi[A][A][A]2.2
2LI:N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE
GOL:GLYCEROL
SO4:SULFATE ION
3ixj[A][A][A]2.2
586:N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N___sq___-(1-PHENYLETHYL)-ISOPHTHALAMIDE
SO4:SULFATE ION
3ixk[A][A][A]2.5
929:N-[(2S,3S,5R)-1-[(3,5-DIFLUOROPHENYL)METHOXY]-3-HYDROXY-5-METHYL-6-[[(2S)-3-METHYL-1-OXO-1-(PHENYLMETHYLAMINO)BUTAN-2-YL]AMINO]-6-OXO-HEXAN-2-YL]-5-(METHYL-METHYLSULFONYL-AMINO)-N___sq___-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE
3ixo[A2][A2][A2]1.7
3jvw[A2][A2][A2]1.8
DMP:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE
3jvy[A2][A2][A2]1.6
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
3jw2[A2][A2][A2]1.8
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
3k1w[A][A][A]1.5
BFX:4-{4-[3-(2-BROMO-5-FLUOROPHENOXY)PROPYL]PHENYL}-N-(2-CHLOROBENZYL)-N-CYCLOPROPYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXAMIDE
CL:CHLORIDE ION
FMT:FORMIC ACID
HSQ:2-ACETYLAMINO-2-DEOXY-ALPHA-L-IDOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3k4v[A2][A2][A2]1.39
ARF:FORMAMIDE
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3k5c[A][A][A]2.12
0BI:(4S)-4-[(1R)-1-HYDROXY-2-({1-[3-(1-METHYLETHYL)PHENYL]CYCLOPROPYL}AMINO)ETHYL]-19-(METHOXYMETHYL)-11-OXA-3,16-DIAZATRICYCLO[15.3.1.1~6,10~]DOCOSA-1(21),6(22),7,9,17,19-HEXAEN-2-ONE
3k5d[A][A][A]2.9
XLI:N-ACETYL-L-LEUCYL-N-[(4S,5S,7R)-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTAN-4-YL]-L-METHIONINAMIDE
3k5f[A][A][A]2.25
AYH:(1R,3S)-3-[1-(ACETYLAMINO)-1-METHYLETHYL]-N-[(1S,2S,4R)-1-BENZYL-5-(BUTYLAMINO)-2-HYDROXY-4-METHYL-5-OXOPENTYL]CYCLOHEXANECARBOXAMIDE
3k5g[A][A][A]2
BJC:(1R,3S)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(1-METHYLETHYL)BENZYL]AMINO}PROPYL]-3-[1-METHYL-1-(2-OXOPIPERIDIN-1-YL)ETHYL]CYCLOHEXANECARBOXAMIDE
3ka2[A][A][A]1.4
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
NLE:NORLEUCINE
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3kdb[A2][A2][A2]1.66
006:(4R)-3-[(2S,3S)-3-{[(2,6-DIMETHYLPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
GOL:GLYCEROL
3kdc[A2][A2][A2]2.2
CL:CHLORIDE ION
GOL:GLYCEROL
JZP:(4R)-3-[(2S,3S)-3-{[(2,6-DICHLOROPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3kdd[A2][A2][A2]1.8
GOL:GLYCEROL
JZQ:(4R)-3-[(2S,3S)-3-{[(2,6-DIFLUOROPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H- INDEN-1-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3kf0[A2][A2][A2]1.8
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
4DX:(1S,2S)-2-METHYLCYCLOHEXANOL
BME:BETA-MERCAPTOETHANOL
DMS:DIMETHYL SULFOXIDE
K:POTASSIUM ION
3kfn[A2][A2][A2]1.77
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
4DX:(1S,2S)-2-METHYLCYCLOHEXANOL
BME:BETA-MERCAPTOETHANOL
DMS:DIMETHYL SULFOXIDE
K:POTASSIUM ION
3kfp[A2][A2][A2]1.77
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
BME:BETA-MERCAPTOETHANOL
DMS:DIMETHYL SULFOXIDE
3kfr[A2][A2][A2]1.3
1F1:1H-INDOLE-6-CARBOXYLIC ACID
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
BME:BETA-MERCAPTOETHANOL
3kfs[A2][A2][A2]1.8
2FX:1-BENZOTHIOPHEN-2-YLACETIC ACID
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
BME:BETA-MERCAPTOETHANOL
DMS:DIMETHYL SULFOXIDE
3km4[A2][A2][A2]1.9
22X:(3R)-3-[(1S)-4-(ACETYLAMINO)-1-(3-CHLOROPHENYL)-1-HYDROXYBUTYL]-N-{(1S)-2-CYCLOHEXYL-1-[(METHYLAMINO)METHYL]ETHYL}PIPERIDINE-1-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3kmx[A2][A2][A2]1.7
G00:4-BUTOXY-3-CHLOROBENZYL IMIDOTHIOCARBAMATE
3kmy[A2][A2][A2]1.9
D8Y:3-[2-(3-CHLOROPHENYL)ETHYL]PYRIDIN-2-AMINE
3kn0[A2][A2][A2]1.9
3TO:3-[2-(3-{[(FURAN-2-YLMETHYL)(METHYL)AMINO]METHYL}PHENYL)ETHYL]PYRIDIN-2-AMINE
TLA:L(+)-TARTARIC ACID
3kt2[A][A][A]1.65
3kt5[A][A][A]1.8
3kyr[A][A][A]2.6
038:3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-AZANYL-3-(1H-1,2,3,4-TETRAZOL-5-YLCARBONYLAMINO)PROPANOYL]AMINO]-3-METHYL-BUTANOYL]AMINO]-4-METHYL-PENTANOYL]AMINO]METHYL]-2-HYDROXY-4-PHENYL-BUTANOYL]AMINO]BENZOIC ACID
3l38[A][A][A]2.1
879:6-({2-(2-CHLOROPHENYL)-5-[4-(PYRIMIDIN-5-YLOXY)PHENYL]-1H-PYRROL-1-YL}METHYL)PYRIDIN-2-AMINE
3l3a[A][A][A]2.36
625:4-(4-{1-[(6-AMINOPYRIDIN-2-YL)METHYL]-5-(2-CHLOROPHENYL)-1H-PYRROL-2-YL}PHENOXY)BUTANENITRILE
3l58[A][A][A]1.8
CS5:N___sq___-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
3l59[A][A][A]2
BDJ:(2Z)-3-(3-CHLOROBENZYL)-2-IMINO-5,5-DIMETHYLIMIDAZOLIDIN-4-ONE
TAR:D(-)-TARTARIC ACID
3l5b[A][A][A]1.8
BDO:(2Z,5R)-3-(3-CHLOROBENZYL)-2-IMINO-5-METHYL-5-(2-METHYLPROPYL)IMIDAZOLIDIN-4-ONE
TAR:D(-)-TARTARIC ACID
3l5c[A][A][A]1.8
BDQ:1-(4-CYANOPHENYL)-3-(4-{[(2Z,4R)-2-IMINO-4-METHYL-4-(2-METHYLPROPYL)-5-OXOIMIDAZOLIDIN-1-YL]METHYL}BENZYL)UREA
TAR:D(-)-TARTARIC ACID
3l5d[A][A][A]1.75
BDV:1-BUTYL-3-(4-{[(2Z,4R)-2-IMINO-4-METHYL-4-(2-METHYLPROPYL)-5-OXOIMIDAZOLIDIN-1-YL]METHYL}BENZYL)UREA
TAR:D(-)-TARTARIC ACID
3l5e[A][A][A]1.53
BDW:(4S)-1-(4-{[(2Z,4R)-4-(2-CYCLOHEXYLETHYL)-4-(CYCLOHEXYLMETHYL)-2-IMINO-5-OXOIMIDAZOLIDIN-1-YL]METHYL}BENZYL)-4-PROPYLIMIDAZOLIDIN-2-ONE
TAR:D(-)-TARTARIC ACID
3l5f[A][A][A]1.7
BDX:(2E,5R)-5-(2-CYCLOHEXYLETHYL)-5-(CYCLOHEXYLMETHYL)-2-IMINO-3-METHYLIMIDAZOLIDIN-4-ONE
TAR:D(-)-TARTARIC ACID
3lhg[A][A][A]2.1
Z81:(5S)-2-AMINO-5-(2___sq___,5___sq___-DIFLUOROBIPHENYL-3-YL)-3-METHYL-5-PYRIDIN-4-YL-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3lin[A2][A2][A2]1.96
E13:N-[(2S,3S)-4-{(4R)-4-[(2,2-DIMETHYLPROPYL)CARBAMOYL]-5,5-DIMETHYL-1,3-THIAZOLIDIN-3-YL}-3-HYDROXY-4-OXO-1-PHENYLBUTAN-2-YL]-N~2~-{(2S)-2-[(METHOXYCARBONYL)AMINO]-2-PHENYLACETYL}-3-METHYL-L-VALINAMIDE
3liq[A2][A2][A2]2.29
E14:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-AZANYL-2-PHENYL-ETHANOYL]AMINO]-3,3-DIMETHYL-BUTANOYL]AMINO]-2-HYDROXY-4-PHENYL-BUT ANOYL]-5,5-DIMETHYL-N-(2-METHYLPROPYL)-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3lit[A2][A2][A2]2.19
E15:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-AZANYL-2-PHENYL-ETHANOYL]AMINO]-3,3-DIMETHYL-BUTANOYL]AMINO]-2-HYDROXY-4-PHENYL-BUT ANOYL]-5,5-DIMETHYL-N-[(2R)-3-METHYLBUTAN-2-YL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3liv[A2][A2][A2]2.59
E16:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-AZANYL-2-PHENYL-ETHANOYL]AMINO]-3,3-DIMETHYL-BUTANOYL]AMINO]-2-HYDROXY-4-PHENYL-BUT ANOYL]-N-[(2R)-3,3-DIMETHYLBUTAN-2-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
3lix[A2][A2][A2]2.7
E17:N-{(1S,2S)-1-BENZYL-3-[(4R)-5,5-DIMETHYL-4-{[(1R)-1,2,2-TRIMETHYLPROPYL]CARBAMOYL}-1,3-THIAZOLIDIN-3-YL]-2-HYDROXY-3-OXOPROPYL}-3-METHYL-N~2~-{(2S)-2-[(MORPHOLIN-4-YLACETYL)AMINO]-2-PHENYLACETYL}-L-VALINAMIDE
ZN:ZINC ION
3liy[A2][a][A2][a][A2][a]1.86
PEG:DI(HYDROXYETHYL)ETHER
STA:STATINE
3liz[ABC][ABC][A2B]1.8
BMA:BETA-D-MANNOPYRANOSE
CD:CADMIUM ION
EDO:1,2-ETHANEDIOL
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
ZN:ZINC ION
3lnk[A][A][A]1.8
74A:N___sq___-{(1S,2S)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R)-4-(PHENYLCARBONYL)PIPERAZIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE
TLA:L(+)-TARTARIC ACID
3lpi[A2][A2][A2]2.05
TLA:L(+)-TARTARIC ACID
Z74:N___sq___-{(1S,2S)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R)-4-(PHENYLSULFONYL)PIPERAZIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE
3lpj[A2][A2][A2]1.79
TLA:L(+)-TARTARIC ACID
Z75:N___sq___-[(1S,2S)-2-[(2R)-4-BENZYLPIPERAZIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE
3lpk[A2][A2][A2]1.93
TLA:L(+)-TARTARIC ACID
Z76:N-[(1S,2S)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-{(2R)-4-[(3-METHYLPHENYL)SULFONYL]PIPERAZIN-2-YL}ETHYL]-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
3lzs[A2][A2][A2]1.95
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
3lzu[A2][A2][A2]1.76
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
3lzv[A2][A2][A2]2.15
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3lzy[A][A][A]1.8
GOL:GLYCEROL
XE:XENON
3m9f[A2][A2][A2]1.8
595:N-[(1S,5S)-5-{[(4-AMINOPHENYL)SULFONYL](3-METHYLBUTYL)AMINO}-1-METHYL-6-OXOHEXYL]-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
CL:CHLORIDE ION
3msj[A][A][A]1.8
EV3:3-(2-AMINO-5-CHLORO-1H-BENZIMIDAZOL-1-YL)PROPAN-1-OL
GOL:GLYCEROL
3msk[A][A][A]2
EV4:4-(2-AMINO-5-CHLORO-1H-BENZIMIDAZOL-1-YL)-N-CYCLOHEXYL-N-METHYLBUTANAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
3msl[A][A][A]2.4
EV5:(3S)-3-(2-AMINO-5-CHLORO-1H-BENZIMIDAZOL-1-YL)-N-(CYCLOHEXYLMETHYL)PENTANAMIDE
IOD:IODIDE ION
3mws[A2][A2][A2]1.09
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
3mxd[A2][A2][A2]1.95
ACT:ACETATE ION
K53:(5S)-N-{(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(2-METHYLPROPYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-(2-HYDROXYPHENYL)-2 -OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
PO4:PHOSPHATE ION
3mxe[A2][A2][A2]1.85
ACT:ACETATE ION
K54:(5S)-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(2-METHYLPROPYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-2-OXO-3-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLIDINE-5-CARBOXAMIDE
PO4:PHOSPHATE ION
3n3i[A][A][A]2.5
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3n4l[A][A][A]2.7
842:N-[(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-({1-[3-(1H-PYRAZOL-1-YL)PHENYL]CYCLOHEXYL}AMINO)PROPYL]ACETAMIDE
3ndt[A2][A2][A2]1.72
ARF:FORMAMIDE
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3ndu[A2][A2][A2]1.25
ACT:ACETATE ION
ARF:FORMAMIDE
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
NA:SODIUM ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3ndw[A2][A2][A2]1.14
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
RIT:RITONAVIR
SO4:SULFATE ION
3ndx[A2][A2][A2]1.03
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
RIT:RITONAVIR
SO4:SULFATE ION
3nls[A2][A2][A2]1.7
016:(4R)-3-[(2R,3S)-3-{[(2,6-DIMETHYLPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
URE:UREA
3nr6[A2][A2][A2]1.97
K:POTASSIUM ION
PO4:PHOSPHATE ION
3nsh[A][A][A]2.2
957:N-[(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-({1-[4-(2,2-DIMETHYLPROPYL)THIOPHEN-2-YL]CYCLOPROPYL}AMINO)-2-HYDROXYPROPYL]ACETAMIDE
3nu3[A2][A2][A2]1.02
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3nu4[A2][A2][A2]1.2
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
CL:CHLORIDE ION
NA:SODIUM ION
3nu5[A2][A2][A2]1.29
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
3nu6[A2][A2][A2]1.16
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
3nu9[A2][A2][A2]1.85
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
IOD:IODIDE ION
3nuj[A2][A2][A2]1.5
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
IOD:IODIDE ION
3nuo[A2][A2][A2]1.35
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
IOD:IODIDE ION
3nwq[A2][A2][A2]1.5
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
NLE:NORLEUCINE
OIL:(2S,3S)-2-HYDROXY-3-METHYLPENTANOIC ACID
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3nwx[A2][A2][A2]1.9
ABA:ALPHA-AMINOBUTYRIC ACID
KVS:N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-ACETYL-L-THREONYL)AMINO]-3-METHYLPENT-4-ENOYL}AMINO)-2-BUTYL-4,4-DIHYDROXYNONANOYL]-L-GLUTAMINYL-L-ARGININAMIDE
NLE:NORLEUCINE
OIL:(2S,3S)-2-HYDROXY-3-METHYLPENTANOIC ACID
SO4:SULFATE ION
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3nxe[A][A][A]1.61
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
NLE:NORLEUCINE
OIL:(2S,3S)-2-HYDROXY-3-METHYLPENTANOIC ACID
SO4:SULFATE ION
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3nxn[A][A][A]1.8
ABA:ALPHA-AMINOBUTYRIC ACID
KVS:N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-ACETYL-L-THREONYL)AMINO]-3-METHYLPENT-4-ENOYL}AMINO)-2-BUTYL-4,4-DIHYDROXYNONANOYL]-L-GLUTAMINYL-L-ARGININAMIDE
NLE:NORLEUCINE
OIL:(2S,3S)-2-HYDROXY-3-METHYLPENTANOIC ACID
SO4:SULFATE ION
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3nyg[A2][A2][A2]1.45
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
GOA:GLYCOLIC ACID
NLE:NORLEUCINE
SO4:SULFATE ION
YCM:S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE
3o99[A2][A2][A2]1.95
ACT:ACETATE ION
K13:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
PO4:PHOSPHATE ION
3o9a[A2][A2][A2]1.9
K14:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]CARBAMATE
PO4:PHOSPHATE ION
3o9b[A2][A2][A2]1.5
ACT:ACETATE ION
GOL:GLYCEROL
K2A:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-({[4-(HYDROXYMETHYL)PHENYL]SULFONYL}[(2S)-2-METHYLBUTYL]AMINO)PROPYL]CARBAMATE
PO4:PHOSPHATE ION
3o9c[A2][A2][A2]1.85
K20:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{(1,3-BENZODIOXOL-5-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
3o9d[A2][A2][A2]1.85
ACT:ACETATE ION
K19:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
PO4:PHOSPHATE ION
3o9e[A2][A2][A2]1.5
A60:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL](2-ETHYLBUTYL)AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3o9f[A2][A2][A2]1.7
ACT:ACETATE ION
K2D:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-3-{(2-ETHYLBUTYL)[(4-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]CARBAMATE
PO4:PHOSPHATE ION
3o9g[A2][A2][A2]1.65
F53:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(1S,2R)-1-BENZYL-3-[(2-ETHYLBUTYL){[4-(HYDROXYMETHYL)PHENYL]SULFONYL}AMINO]-2-HYDROXYPROPYL}CARBAMATE
PO4:PHOSPHATE ION
3o9h[A2][A2][A2]1.7
ACT:ACETATE ION
K2E:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(2-ETHYLBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}CARBAMATE
PO4:PHOSPHATE ION
3o9i[A2][A2][A2]1.45
A61:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(2-ETHYLBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}CARBAMATE
PO4:PHOSPHATE ION
3o9l[AB][AB][A2]2.4
LPN:(3R,4S)-N-[2-CHLORO-5-(3-METHOXYPROPYL)BENZYL]-N-CYCLOPROPYL-4-{4-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PHENYL}PIPERIDINE-3-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3oad[AB][AB][A2]2.17
LPO:(3S,4R)-N-[2-CHLORO-5-(2-METHOXYETHYL)BENZYL]-N-CYCLOPROPYL-4-{6-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PYRIDIN-3-YL}-4-HYDROXYPIPERIDINE-3-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3oag[AB][AB][A2]2.3
LPQ:(3R,4S)-N-{2-CHLORO-5-[(CYCLOPROPYLAMINO)METHYL]BENZYL}-N-CYCLOPROPYL-4-{6-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PYRIDIN-3-YL}PIPERIDINE-3-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3ogp[A2][A2][A2]1.7
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
DMS:DIMETHYL SULFOXIDE
3ogq[A2][A2][A2]1.8
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
DMS:DIMETHYL SULFOXIDE
3ohf[A2][A2][A2]2.1
3HF:N~3~-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIBUTYL-1H-INDOLE-1,3-DICARBOXAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
3ohh[A2][A2][A2]2.01
3HH:N~1~-BUTYL-5-CYANO-N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~-METHYL-1H-INDOLE-1,3-DICARBOXAMIDE
GOL:GLYCEROL
SO4:SULFATE ION
3ok9[A2][A2][A2]1.27
CL:CHLORIDE ION
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
3oot[A][A][A]2.55
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SSR:2-(3-FLUORO-2-METHYLBENZYL)-4-METHYL-1-PHENYL-3-(PIPERAZIN-1-YLCARBONYL)-1H-INDOL-5-OL
3ooz[A][A][A]1.8
ZOO:(5R)-2-AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-[4-FLUORO-3-(5-FLUOROPENT-1-YN-1-YL)PHENYL]-3-METHYL-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3oq7[A2][A2][A2]1.71
3oqa[A2][A2][A2]2.25
3oqd[A2][A2][A2]1.71
3oqf[A][A][A]2.78
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
S51:2-BENZYL-1-PHENYL-3-(PIPERAZIN-1-YLCARBONYL)-1H-INDOLE
3oqk[A][A][A]2.9
GOL:GLYCEROL
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
S52:2-PHENOXY-1-PHENYL-3-(PIPERAZIN-1-YLCARBONYL)-1H-INDOLE
3ots[A2][a][A2][a][A2][a]1.7
3oty[A2][a][A2][a][A2][a]1.75
3ou1[AB][a][A2][a][A2][a]1.8
3ou3[A2][a][A2][a][A2][a]1.7
3ou4[AB][a][A2][a][A2][a]1.6
3oua[A2][a][A2][a][A2][a]1.7
3oub[A2][a][A2][a][A2][a]1.6
3ouc[A2][a][A2][a][A2][a]2
3oud[AB][a][A2][a][A2][a]1.8
3own[A][A][A]2
3OW:(2S,4S)-4-HYDROXY-2-(1-METHYLETHYL)-4-[(4S,13S)-18-[METHYL(METHYLSULFONYL)AMINO]-2,15-DIOXO-4-PHENYL-11-OXA-3,14-DIAZATRICYCLO[14.3.1.1~5,9~]HENICOSA-1(20),5(21),6,8,16,18-HEXAEN-13-YL]-N-(2-METHYLPROPYL)BUTANAMIDE
3OX:(2S,4S)-4-HYDROXY-2-(1-METHYLETHYL)-4-[(4R,13S)-18-[METHYL(METHYLSULFONYL)AMINO]-2,15-DIOXO-4-PHENYL-11-OXA-3,14-DIAZATRICYCLO[14.3.1.1~5,9~]HENICOSA-1(20),5(21),6,8,16,18-HEXAEN-13-YL]-N-(2-METHYLPROPYL)BUTANAMIDE
ACT:ACETATE ION
NA:SODIUM ION
3oxc[A2][A2][A2]1.16
FMT:FORMIC ACID
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
SO4:SULFATE ION
3oxv[A2][A2][A2]1.75
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
ACT:ACETATE ION
GOL:GLYCEROL
PO4:PHOSPHATE ION
SO4:SULFATE ION
3oxw[A2][A2][A2]1.95
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PO4:PHOSPHATE ION
3oxx[A2][A2][A2]1.65
ACT:ACETATE ION
DR7:(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13-PENTAAZATETRADECANEDIOICACID DIMETHYL ESTER
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PO4:PHOSPHATE ION
3oy4[A2][A2][A2]1.76
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3pb5[A][A][A]1.9
F63:N-METHYL-1-[5-(PYRIDIN-3-YLOXY)FURAN-2-YL]METHANAMINE
GOL:GLYCEROL
3pbd[A][A][A]1.7
F05:1H-ISOINDOL-3-AMINE
GOL:GLYCEROL
3pbz[A][A][A]1.48
DMS:DIMETHYL SULFOXIDE
F02:4-(DIETHYLAMINO)BENZOHYDRAZIDE
GOL:GLYCEROL
3pcw[A][A][A]1.25
DMS:DIMETHYL SULFOXIDE
FBF:4-(TRIFLUOROMETHYL)BENZENECARBOXIMIDAMIDE
GOL:GLYCEROL
3pcz[A][A][A]1.5
BEN:BENZAMIDINE
DMS:DIMETHYL SULFOXIDE
3pep[A][A][A]2.3
EOH:ETHANOL
3pgi[A][A][A]1.9
F41:N-(1,3-BENZODIOXOL-5-YL)-2-(PIPERIDIN-1-YL)ACETAMIDE
GOL:GLYCEROL
3phv[A2][A2][A2]2.7
3pi0[A][A][A]1.64
DMS:DIMETHYL SULFOXIDE
F91:N-(PYRIDIN-4-YLMETHYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-6-AMINE
GOL:GLYCEROL
3pi5[A][A][A]2.4
3P5:(3S,4S,5R)-3-(3-BROMO-4-HYDROXYBENZYL)-5-[(3-CYCLOPROPYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL1,1-DIOXIDE
3pj6[A2][A2][A2]2.25
3pld[A][A][A]1.4
F90:4-CHLOROBENZYL CARBAMIMIDOTHIOATE
GOL:GLYCEROL
3pll[A][A][A]1.73
F06:2-CHLOROBENZYL CARBAMIMIDOTHIOATE
GOL:GLYCEROL
3pm4[A][A][A]1.68
F5N:2-(IMIDAZO[1,2-A]PYRIDIN-2-YL)-N-PHENYLACETAMIDE
GOL:GLYCEROL
3pmu[A][A][A]1.43
F7L:(2S)-1-[(2-FLUOROBENZYL)OXY]-3-(PYRROLIDIN-1-YL)PROPAN-2-OL
3pmy[A][A][A]1.38
41L:N-(1H-BENZIMIDAZOL-1-YL)-2-PHENYLACETAMIDE
GOL:GLYCEROL
3prs[A][A][A]1.38
1PE:PENTAETHYLENE GLYCOL
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
RIT:RITONAVIR
3psg[A][A][A]1.65
3psu[A2][A2][A2]2.07
CL:CHLORIDE ION
LJG:N,N___sq___-(IMINODIETHANE-2,1-DIYL)BIS[4-AMINO-N-(2-METHYLPROPYL)BENZENESULFONAMIDE]
3psy[A][A][A]1.43
1PE:PENTAETHYLENE GLYCOL
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
RB9:N-BENZYL-2-({N-[2-(1H-INDOL-3-YL)ETHYL]GLYCYL}AMINO)-4-PHENYLTHIOPHENE-3-CARBOXAMIDE
3pvk[A][A][A]1.27
BEN:BENZAMIDINE
IMD:IMIDAZOLE
MPD:(4S)-2-METHYL-2,4-PENTANEDIOL
ZN:ZINC ION
3pwm[A2][A2][A2]1.46
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
3pwr[A2][A2][A2]1.45
CL:CHLORIDE ION
GOL:GLYCEROL
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3pww[A][A][A]1.22
GOL:GLYCEROL
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3q3t[A][A][A]2.6
GOL:GLYCEROL
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
RX0:[(1S,3R,4S)-3-AMINO-4-HYDROXYCYCLOPENTYL]{(3R)-3-[(1S)-1-(BIPHENYL-2-YL)-1-HYDROXY-5-METHOXYPENTYL]PIPERIDIN-1-YL}METHANONE
3q4b[A][A][A]2.19
CL:CHLORIDE ION
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
RX5:METHYL (2-{(R)-(3-CHLOROPHENYL)[(3R)-1-({(2S)-2-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPYL}CARBAMOYL)PIPERIDIN-3-YL] METHOXY}ETHYL)CARBAMATE
3q5h[A][A][A]2.16
CL:CHLORIDE ION
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
RX6:METHYL (2-{(R)-(3-CHLOROPHENYL)[(3R)-1-({(2S)-1-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPAN-2-YL}CARBAMOYL)PIPERIDIN-3-YL]METHOXY}ETHYL)CARBAMATE
3q6y[A][A][A]1.35
1PE:PENTAETHYLENE GLYCOL
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
S47:(3S,4S)-PYRROLIDINE-3,4-DIYL BIS(NAPHTHALEN-1-YLACETATE)
3q70[A][A][A]1.4
MRD:(4R)-2-METHYLPENTANE-2,4-DIOL
RIT:RITONAVIR
ZN:ZINC ION
3qaa[A2][A2][A2]1.4
CL:CHLORIDE ION
G04:(3R,3AS,4R,6AR)-4-METHOXYHEXAHYDROFURO[2,3-B]FURAN-3-YL[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
3qbf[A2][A2][A2]1.45
CL:CHLORIDE ION
GOL:GLYCEROL
JHG:4-{(3-PHENYLPROPYL)[(3S,4S)-4-{[4-(TRIFLUOROMETHYL)BENZYL]AMINO}PYRROLIDIN-3-YL]SULFAMOYL}BENZAMIDE
3qbh[A][A][A]2.24
QBH:(4S)-4-(2-HYDROXY-5-{[(3S,4S,5R)-4-HYDROXY-1,1-DIOXIDO-5-{[3-(PROPAN-2-YL)BENZYL]AMINO}TETRAHYDRO-2H-THIOPYRAN-3-YL]METHYL}BENZYL)-3-PROPYL-1,3-OXAZOLIDIN-2-ONE
3qi1[A][A][A]2.3
C6A:N-[(2S,3R)-4-{[(2R,4S)-2-CYCLOPROPYL-6-(2,2-DIMETHYLPROPYL)-3,4-DIHYDRO-2H-CHROMEN-4-YL]AMINO}-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]ACETAMIDE
3qih[A2][A2][A2]1.39
CL:CHLORIDE ION
FG7:ETHYL 3-AMINOBENZOATE
NI7:(4AS,7AS)-1,4-BIS(3-HYDROXYBENZYL)HEXAHYDRO-1H-PYRROLO[3,4-B]PYRAZINE-2,3-DIONE
PGE:TRIETHYLENE GLYCOL
3qn8[A2][A2][A2]1.38
CL:CHLORIDE ION
NI7:(4AS,7AS)-1,4-BIS(3-HYDROXYBENZYL)HEXAHYDRO-1H-PYRROLO[3,4-B]PYRAZINE-2,3-DIONE
3qp0[A2][A2][A2]1.45
CL:CHLORIDE ION
NI8:(4AS,7AS)-1,4-BIS[3-(HYDROXYMETHYL)BENZYL]HEXAHYDRO-1H-PYRROLO[3,4-B]PYRAZINE-2,3-DIONE
3qpj[A2][A2][A2]1.61
CL:CHLORIDE ION
DTD:DITHIANE DIOL
N4I:4-({(3S,4S)-4-[(3-HYDROXYBENZYL)AMINO]PYRROLIDIN-3-YL}[4-(TRIFLUOROMETHYL)BENZYL]SULFAMOYL)BENZAMIDE
3qrm[A2][A2][A2]1.73
CL:CHLORIDE ION
DTD:DITHIANE DIOL
NK7:4-{[4-(TRIFLUOROMETHYL)BENZYL][(3S,4S)-4-{[4-(TRIFLUOROMETHYL)BENZYL]AMINO}PYRROLIDIN-3-YL]SULFAMOYL}BENZAMIDE
3qro[A2][A2][A2]1.62
CL:CHLORIDE ION
DTD:DITHIANE DIOL
GOL:GLYCEROL
NK9:4-({(3S,4S)-4-[(3,5-DIHYDROXYBENZYL)AMINO]PYRROLIDIN-3-YL}[4-(TRIFLUOROMETHYL)BENZYL]SULFAMOYL)BENZAMIDE
3qrs[A2][A2][A2]1.59
CL:CHLORIDE ION
NK8:4-({(3S,4S)-4-[(4-CARBAMOYLBENZYL)AMINO]PYRROLIDIN-3-YL}[4-(TRIFLUOROMETHYL)BENZYL]SULFAMOYL)BENZAMIDE
3qrv[A2][A2][A2]2.4
3qs1[A4][A4][A4]3.1
006:(4R)-3-[(2S,3S)-3-{[(2,6-DIMETHYLPHENOXY)ACETYL]AMINO}-2-HYDROXY-4-PHENYLBUTANOYL]-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
GOL:GLYCEROL
3qvc[A][A][A]2.1
EDO:1,2-ETHANEDIOL
3qvi[A4][A4][A4]2.5
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
K95:(4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY-3-{[S-METHYL-N-(PHENYLACETYL)-L-CYSTEINYL]AMINO}-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
NA:SODIUM ION
PG4:TETRAETHYLENE GLYCOL
PG5:1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE
3r0w[A2][A2][A2]1.7
RSY:N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-AMINO-4-METHYL-1-OXOPENTAN-2-YL]AMINO}-3-CHLORO-1-OXOPROPAN-2-YL]AMINO}-3-HYDROXY-5-OXO-1-PHENYLPENTAN-2-YL]AMINO}-3-METHYL-1-OXOBUTAN-2-YL]PYRIDINE-2-CARBOXAMIDE
3r0y[A2][A2][A2]1.65
RSZ:N-[(2S)-1-{[(2S,3S)-3-HYDROXY-5-OXO-5-{[(2R)-1-OXO-3-PHENYL-1-(PROP-2-YN-1-YLAMINO)PROPAN-2-YL]AMINO}-1-PHENYLPENTAN-2-YL]AMINO}-3-METHYL-1-OXOBUTAN-2-YL]PYRIDINE-2-CARBOXAMIDE
3r1g[ABC][ABC][A2B]2.8
3r2f[A][A][A]2.53
PB0:(2S)-2-[(3R)-3-(ACETYLAMINO)-3-(2-METHYLPROPYL)-2-OXOPYRROLIDIN-1-YL]-N-{(1R,2S)-3-(3,5-DIFLUOROPHENYL)-1-HYDROXY-1-[(2R,4R)-4-PROPOXYPYRROLIDIN-2-YL]PROPAN-2-YL}-4-PHENYLBUTANAMIDE
3r4b[A2][A2][A2]1.9
74T:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-4-[({2-[(1-CYCLOPENTYLPIPERIDIN-4-YL)AMINO]-1,3-BENZOTHIAZOL-6-YL}SULFONYL)(2-METHYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}CARBAMATE
PO4:PHOSPHATE ION
3rsv[A][A][A]2.5
3RS:(2R)-3-[2-AMINO-6-(2-METHYLPHENYL)QUINOLIN-3-YL]-N-[(4R)-2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-YL]-2-METHYLPROPANAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
3rsx[A][A][A]2.48
IOD:IODIDE ION
RSV:6-(THIOPHEN-3-YL)QUINOLIN-2-AMINE
3rth[A][A][A]2.7
IOD:IODIDE ION
RTH:6-[2-(3,3-DIMETHYLBUT-1-YN-1-YL)PHENYL]QUINOLIN-2-AMINE
3rtm[A][A][A]2.76
GOL:GLYCEROL
IOD:IODIDE ION
RTM:3-(2-AMINOQUINOLIN-3-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
3rtn[A][A][A]2.7
GOL:GLYCEROL
IOD:IODIDE ION
RTN:3-[2-AMINO-6-(2-METHYLPHENYL)QUINOLIN-3-YL]-N-CYCLOHEXYLPROPANAMIDE
3ru1[A][A][A]2.3
3RU:3-(2-AMINOQUINOLIN-3-YL)-N-(CYCLOHEXYLMETHYL)PROPANAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
3rvi[A][A][A]2.65
GOL:GLYCEROL
IOD:IODIDE ION
RVI:(2R)-2-{[2-AMINO-6-(2-METHYLPHENYL)QUINOLIN-3-YL]METHYL}-N-(CYCLOHEXYLMETHYL)PENTANAMIDE
3s2o[A][A][A]2.6
EV6:(3S)-3-(2-AMINO-5-CHLORO-1H-BENZIMIDAZOL-1-YL)-N-[(1R,3S,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DEC-2-YL]PENTANAMIDE
IOD:IODIDE ION
3s43[AB][A2][A2]1.26
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
GOL:GLYCEROL
IOD:IODIDE ION
3s45[A2][A2][A2]1.51
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
CL:CHLORIDE ION
IMD:IMIDAZOLE
NA:SODIUM ION
ZN:ZINC ION
3s53[A2][A2][A2]1.5
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
IOD:IODIDE ION
PO4:PHOSPHATE ION
3s54[A2][A2][A2]1.42
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3s56[A2][A2][A2]1.88
ACT:ACETATE ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3s7l[A][A][A]2.16
591:(5S)-2-AMINO-5-(1-ETHYL-1H-PYRAZOL-4-YL)-3-METHYL-5-[3-(PYRIMIDIN-5-YL)PHENYL]-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3s7m[A][A][A]2.2
532:(5S)-2-AMINO-3-METHYL-5-[3-(PYRIDIN-3-YL)PHENYL]-5-(THIOPHEN-3-YL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
3s85[A2][A2][A2]2.8
LK0:METHYL N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(METHOXYCARBONYLAMINO)-3,3-DIMETHYL-BUTANOYL]AMINO]-3-OXIDANYL-6-PHENYL-1-(4-PYRIDIN-3-YLPHENYL)HEXAN-2-YL]AMINO]-3,3-DIMETHYL-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
3s8i[A2][A2][A2]1.7
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
PO4:PHOSPHATE ION
UNX:UNKNOWN ATOM OR ION
3sa3[A2][A2][A2]1.65
23X:N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3sa4[A2][A2][A2]1.8
ACT:ACETATE ION
F72:N-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(CYCLOHEXYLMETHYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE
PO4:PHOSPHATE ION
3sa5[A2][A2][A2]1.65
A69:N-{(2S,3R)-4-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(3-PHENYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}-3-HYDROXYBENZAMIDE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3sa6[A2][A2][A2]1.75
F71:3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-([(2S)-2-METHYLBUTYL]{[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO)-1-PHENYLBUTAN-2-YL]BENZAMIDE
PO4:PHOSPHATE ION
3sa7[A2][A2][A2]1.5
55A:N~2~-ACETYL-N-[(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-L-LEUCINAMIDE
PO4:PHOSPHATE ION
3sa8[A2][A2][A2]1.5
ACT:ACETATE ION
K83:3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]BENZAMIDE
PO4:PHOSPHATE ION
3sa9[A2][A2][A2]1.7
A68:N~2~-ACETYL-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]-L-ISOLEUCINAMIDE
ACT:ACETATE ION
PO4:PHOSPHATE ION
3saa[A2][A2][A2]1.95
77F:N-[(2S,3R)-4-{(CYCLOHEXYLMETHYL)[(4-METHOXYPHENYL)SULFONYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-3-HYDROXYBENZAMIDE
PO4:PHOSPHATE ION
3sab[A2][A2][A2]1.5
F78:3-HYDROXY-N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](3-PHENYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]BENZAMIDE
PO4:PHOSPHATE ION
3sac[A2][A2][A2]1.5
AF8:3-HYDROXY-N-{(2S,3R)-3-HYDROXY-4-[(2-METHYLPROPYL){[5-(1,2-OXAZOL-5-YL)THIOPHEN-2-YL]SULFONYL}AMINO]-1-PHENYLBUTAN-2-YL}BENZAMIDE
PO4:PHOSPHATE ION
3sfc[A][A][A]2.1
GOL:GLYCEROL
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
S53:[7-BENZYL-2-(5-FLUORO-2-METHYLPHENOXY)-1-PHENYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL](PIPERAZIN-1-YL)METHANONE
3skf[A][A][A]3
IOD:IODIDE ION
PB7:(2S)-2-{(3S)-3-(ACETYLAMINO)-3-[(2S)-BUTAN-2-YL]-2-OXOPYRROLIDIN-1-YL}-N-{(2S,3R)-3-HYDROXY-4-[(3-METHOXYBENZYL)AMINO]-1-PHENYLBUTAN-2-YL}-4-PHENYLBUTANAMIDE
3skg[A][A][A]2.88
PB8:(2S)-2-[(3R)-3-(ACETYLAMINO)-3-(2-METHYLPROPYL)-2-OXOPYRROLIDIN-1-YL]-N-{(1R,2S)-3-(3,5-DIFLUOROPHENYL)-1-HYDROXY-1-[(3R)-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]PROPAN-2-YL}-4-PHENYLBUTANAMIDE
3slz[A2][A2][A2]1.4
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
FMT:FORMIC ACID
NA:SODIUM ION
3sm1[A2][a2][A2][a2][A2][a2]1.5
FMT:FORMIC ACID
IVA:ISOVALERIC ACID
STA:STATINE
3sm2[A2][A2][A2]1.75
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
3so9[A2][A2][A2]2.87
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
3spk[A2][A2][A2]1.24
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
3sqf[A][A][A]1.63
3st5[A2][A2][A2]1.45
CL:CHLORIDE ION
G89:(3R,3AR,5R,6AR)-3-HYDROXYHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
3t11[A2][A2][A2]2.22
3T1:(3S,11S)-11-(3-CHLORO-4-HYDROXY-5-METHOXYPHENYL)-3-PHENYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE
BME:BETA-MERCAPTOETHANOL
CL:CHLORIDE ION
3t3c[A2][A2][A2]2.1
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
BME:BETA-MERCAPTOETHANOL
SO4:SULFATE ION
3t6i[A][A][A]1.32
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
NC8:(3R)-3-({(4-AMINOBENZYL)[(4-AMINOPHENYL)ACETYL]AMINO}METHYL)-5-{[(4-BROMOBENZOYL)OXY]METHYL}-2,3,4,7-TETRAHYDRO-1H-AZEPINIUM
NC9:(3R)-3-({(4-AMINOBENZYL)[(4-AMINOPHENYL)ACETYL]AMINO}METHYL)-5-(HYDROXYMETHYL)-2,3,4,7-TETRAHYDRO-1H-AZEPINIUM
SO4:SULFATE ION
Z82:4-BROMOBENZOIC ACID
3t7p[A][A][A]1.35
7SP:(2R)-2-AMINO-N___sq___-[(E)-(4-HYDROXYNAPHTHALEN-1-YL)METHYLIDENE]-2-PHENYLETHANEHYDRAZIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
3t7q[A][A][A]1.3
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
RB4:ETHYL 2-({N-[2-(1H-INDOL-3-YL)ETHYL]GLYCYL}AMINO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE
3t7x[A][A][A]1.27
4SH:N-BENZYL-2-[(MORPHOLIN-4-YLACETYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
ACT:ACETATE ION
GOL:GLYCEROL
3th9[A2][A2][A2]1.34
9Y9:TERT-BUTYL {(2S,3R)-4-[(4S)-7-FLUORO-4-METHYL-1,1-DIOXIDO-4,5-DIHYDRO-1,2-BENZOTHIAZEPIN-2(3H)-YL]-3-HYDROXY-1-PHENYLBUTAN-2-YL}CARBAMATE
3tkg[A2][A2][A2]1.36
CL:CHLORIDE ION
GOL:GLYCEROL
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3tkw[A2][A2][A2]1.55
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3tl9[A2][A2][A2]1.32
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3tlh[A2][A2][A2]2
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
3tne[A][A][A]2.4
RIT:RITONAVIR
3tof[A2][A2][A2]1.45
076:(S)-N-((1R,2S)-1-((2R,3R)-3-BENZYLOXIRAN-2-YL)-1-HYDROXY-3-PHENYLPROPAN-2-YL)-3-METHYL-2-(2-PHENOXYACETAMIDO)BUTANAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
3tog[A2][A2][A2]1.24
079:(S)-N-((2S,3S,4R,5R)-4-AMINO-3,5-DIHYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-PHENOXYACETAMIDO)BUTANAMIDE
DMS:DIMETHYL SULFOXIDE
3toh[A2][A2][A2]1.12
079:(S)-N-((2S,3S,4R,5R)-4-AMINO-3,5-DIHYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-PHENOXYACETAMIDO)BUTANAMIDE
DMS:DIMETHYL SULFOXIDE
3tpj[A][A][A]1.61
CL:CHLORIDE ION
SO4:SULFATE ION
URE:UREA
3tpl[A][A][A]2.5
CL:CHLORIDE ION
SO4:SULFATE ION
3tpp[A][A][A]1.6
5HA:N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
CL:CHLORIDE ION
SO4:SULFATE ION
URE:UREA
3tpr[A][A][A]2.55
5HA:N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
CL:CHLORIDE ION
3ttp[A2][A2][A2]2.23
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
BME:BETA-MERCAPTOETHANOL
CL:CHLORIDE ION
3u6a[A][A][A]2.2
18P:N-{3-[(2R)-6-AMINO-2,4-DIMETHYL-3-OXO-2,3,4,5-TETRAHYDROPYRAZIN-2-YL]PHENYL}-5-CHLOROPYRIDINE-2-CARBOXAMIDE
SO4:SULFATE ION
3u71[A2][A2][A2]2.72
3u7s[A2][A2][A2]2.05
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
BME:BETA-MERCAPTOETHANOL
3ucb[A2][A2][A2]1.38
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
3udh[A][A][A]1.7
091:(3S)-SPIRO[INDOLE-3,3___sq___-PYRROLIDIN]-2(1H)-ONE
EDO:1,2-ETHANEDIOL
ZN:ZINC ION
3udj[A][A][A]1.8
092:METHYL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
ZN:ZINC ION
3udk[A][A][A]2.51
095:TETRAHYDRO-2H-PYRAN-4-YL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
ZN:ZINC ION
3udm[A][A][A]1.94
09A:BENZYL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
ZN:ZINC ION
3udn[A][A][A]2.19
09B:4-CYANOBENZYL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
ZN:ZINC ION
3udp[A][A][A]1.95
09D:(4S)-6-BROMO-3,4-DIHYDRO-2H-THIOCHROMEN-4-YL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
ZN:ZINC ION
3udq[A][A][A]2.73
09E:(4S)-6-BROMO-1,1-DIOXIDO-3,4-DIHYDRO-2H-THIOCHROMEN-4-YL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
3udr[A][A][A]1.95
09F:1-CYANOCYCLOHEXYL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
ZN:ZINC ION
3udy[A][A][A]2
09G:3-BROMO-4-CYANOBENZYL (3S,5___sq___R)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,3___sq___-PYRROLIDINE]-5___sq___-CARBOXYLATE
EDO:1,2-ETHANEDIOL
PEG:DI(HYDROXYETHYL)ETHER
ZN:ZINC ION
3uf3[A2][A2][A2]1.63
GOL:GLYCEROL
Y1:YTTRIUM ION
3ufl[A][A][A]1.9
508:(1R,4___sq___S)-3,4-DIHYDRO-2H-SPIRO[NAPHTHALENE-1,3___sq___-PYRROLIDIN]-4___sq___-YL[(2S,4R)-2,4-DIPHENYLPIPERIDIN-1-YL]METHANONE
GOL:GLYCEROL
SO4:SULFATE ION
3ufn[A2][A2][A2]1.45
CL:CHLORIDE ION
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
3uhl[A2][A2][A2]2.2
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
SO4:SULFATE ION
3upj[A2][A2][A2]2.5
U03:4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE
3uqp[A][a][A][a][A][a]1.77
BOC:TERT-BUTYL HYDROGEN CARBONATE
GNC:N~2~-METHYL-L-GLUTAMINE
PDW:METHYL D-PROLINATE
PSA:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
SO4:SULFATE ION
ZAE:N-METHYL-D-PHENYLALANINE
3uqr[A][a][A][a][A][a]3.06
PLJ:METHYL L-PROLINATE
PSA:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
QSC:(1R)-1-PHENYLETHANAMINE
ZAE:N-METHYL-D-PHENYLALANINE
ZSC:5-[METHYL(METHYLSULFONYL)AMINO]BENZENE-1,3-DICARBOXYLICACID
3uqu[A][A][A]1.7
CL:CHLORIDE ION
SO4:SULFATE ION
URE:UREA
ZPX:N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-N___sq___-[(2S,3S)-3-HYDROXY-1-PHENYL-4-(1H-PYRAZOL-1-YL)BUTAN-2-YL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZENE-1,3-DICARBOXAMIDE
3uqw[A][A][A]2.2
SO4:SULFATE ION
ZPY:ETHYL 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-FLUOROPHENYL)ETHYL]CARBAMOYL}-5-[METHYL(METHYLSULFONYL)AMINO]BENZOYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-1H-PYRAZOLE-4-CARBOXYLATE
3uqx[A][A][A]1.7
CL:CHLORIDE ION
SO4:SULFATE ION
URE:UREA
ZPZ:N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-N___sq___-[(2S,3S)-3-HYDROXY-4-{4-[(1S)-1-HYDROXYETHYL]-1H-1,2,3-TRIAZOL-1-YL}-1-PHENYLBUTAN-2-YL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZENE-1,3-DICARBOXAMIDE
3uri[A][a][A][a][A][a]2.1
13E:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-L-METHIONINE
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
3urj[A][A][A]1.9
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
3url[A][a][A][a][A][a]2
PUK:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-L-PHENYLALANINE
SO4:SULFATE ION
SUI:(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
3utl[A][A][A]2.61
3vcm[AB][AB][AB]2.93
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3veu[A][A][A]1.52
0GO:(2S)-N-[(2S,3R)-3-HYDROXY-1-PHENYL-4-{[3-(PROPAN-2-YL)BENZYL]AMINO}BUTAN-2-YL]-2-[(5S)-6-OXO-1-PROPYL-1,7-DIAZASPIRO[4.4]NON-7-YL]PROPANAMIDE
3vf3[A][A][A]1.48
0GS:(3S,4S,5R)-3-(4-AMINO-3-BROMO-5-FLUOROBENZYL)-5-{[3-(1,1-DIFLUOROETHYL)BENZYL]AMINO}TETRAHYDRO-2H-THIOPYRAN-4-OL 1,1-DIOXIDE
3vf5[A2][A2][A2]1.25
031:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-([(4-METHOXYPHENYL)SULFONYL]{[(2R)-5-OXOPYRROLIDIN-2-YL]METHYL}AMINO)PROPYL]CARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3vf7[A2][A2][A2]1.3
031:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-([(4-METHOXYPHENYL)SULFONYL]{[(2R)-5-OXOPYRROLIDIN-2-YL]METHYL}AMINO)PROPYL]CARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3vfa[A2][A2][A2]1.43
031:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-([(4-METHOXYPHENYL)SULFONYL]{[(2R)-5-OXOPYRROLIDIN-2-YL]METHYL}AMINO)PROPYL]CARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
3vfb[A2][A2][A2]1.55
031:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-([(4-METHOXYPHENYL)SULFONYL]{[(2R)-5-OXOPYRROLIDIN-2-YL]METHYL}AMINO)PROPYL]CARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
3vg1[A][A][A]1.77
0GT:(3R,4S,5S)-3-[(3-TERT-BUTYLBENZYL)AMINO]-5-{[3-(2,2-DIFLUOROETHYL)-1H-INDOL-5-YL]METHYL}TETRAHYDRO-2H-THIOPYRAN-4-OL 1,1-DIOXIDE
3vla[A][A][A]0.95
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PCA:PYROGLUTAMIC ACID
3vlb[AB][AB][AB]2.7
3vsw[A][A][A]3
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
R31:(2S,4S,5S)-5-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-4-HYDROXY-6-{4-[2-(3-METHOXYPROPOXY)PHENYL]-3-OXOPIPERAZIN-1-YL}-2-(PROPAN-2-YL)HEXANAMIDE
3vsx[A][A][A]2.8
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
R32:(2S,4S,5S)-5-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-6-[4-(2-CHLOROPHENYL)-2,2-DIMETHYL-5-OXOPIPERAZIN-1-YL]-4-HYDROXY-2-(PROPAN-2-YL)HEXANAMIDE
3vuc[A][A][A]2.6
HHE:(2R,4S,5S)-5-AMINO-6-[4-(2-CHLOROPHENYL)-2,2-DIMETHYL-5-OXOPIPERAZIN-1-YL]-2-ETHYL-4-HYDROXY-N-[(1R,2S,3S,5S,7S)-5-HYDROXYTRICYCLO[3.3.1.1~3,7~]DEC-2-YL]HEXANAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
3vv6[A][A][A]2.05
B00:2-AMINO-3-METHYL-6-[(1S,2R)-2-PHENYLCYCLOPROPYL]PYRIMIDIN-4(3H)-ONE
GOL:GLYCEROL
IOD:IODIDE ION
3vv7[A][A][A]2.1
0B1:2-AMINO-6-[(1S,2R)-2-(3___sq___-METHOXYBIPHENYL-3-YL)CYCLOPROPYL]-3-METHYLPYRIMIDIN-4(3H)-ONE
GOL:GLYCEROL
IOD:IODIDE ION
3vv8[A][A][A]2.5
B02:2-AMINO-3-METHYL-6-[(1S,2R)-2-(3___sq___-METHYLBIPHENYL-4-YL)CYCLOPROPYL]PYRIMIDIN-4(3H)-ONE
GOL:GLYCEROL
3vyd[A][A][A]2.81
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
VYD:(3S,5R)-5-{[4-(2-CHLOROPHENYL)-2,2-DIMETHYL-5-OXOPIPERAZIN-1-YL]METHYL}-N-(3-METHYLBUTYL)PIPERIDINE-3-CARBOXAMIDE
3vye[A][A][A]2.7
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
VYE:(3S,5R)-5-[4-(2-CHLOROPHENYL)-2,2-DIMETHYL-5-OXOPIPERAZIN-1-YL]-N-(3-METHYLBUTYL)PIPERIDINE-3-CARBOXAMIDE
3vyf[A][A][A]2.8
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
VYF:(3S,5R)-5-[4-(2-CHLOROPHENYL)-2,2-DIMETHYL-5-OXOPIPERAZIN-1-YL]-N-(2,6-DIMETHYLHEPTAN-4-YL)PIPERIDINE-3-CARBOXAMIDE
3wb4[A][A][A]2.25
0B3:(6R)-2-AMINO-3,6-DIMETHYL-6-(2-PHENYLETHYL)-5,6-DIHYDROPYRIMIDIN-4(3H)-ONE
GOL:GLYCEROL
IOD:IODIDE ION
3wb5[A][A][A]2.5
0B4:(6S)-2-AMINO-3,6-DIMETHYL-6-[(1R,2R)-2-PHENYLCYCLOPROPYL]-5,6-DIHYDROPYRIMIDIN-4(3H)-ONE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOD:IODIDE ION
3wsj[A2][A2][A2]2.4
MK1:N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
PG4:TETRAETHYLENE GLYCOL
SO4:SULFATE ION
3wz6[A][A][A]1.4
ACT:ACETATE ION
IXZ:N-BENZYL-2-[(N-BENZYLGLYCYL)AMINO]-4-PHENYLTHIOPHENE-3-CARBOXAMIDE
PEG:DI(HYDROXYETHYL)ETHER
PG4:TETRAETHYLENE GLYCOL
PG6:1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
3wz7[A][A][A]1.9
DMS:DIMETHYL SULFOXIDE
IXY:N-BENZYL-2-({N-[2-(1H-INDOL-3-YL)ETHYL]GLYCYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
3wz8[A][A][A]1.45
DMS:DIMETHYL SULFOXIDE
IXV:N-BENZYL-4-PHENYL-2-[(N-PHENYL-BETA-ALANYL)AMINO]THIOPHENE-3-CARBOXAMIDE
PEG:DI(HYDROXYETHYL)ETHER
3zkg[A][A][A]1.9
B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
3zki[A][A][A]2.4
WZV:5-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE-2-CARBOXYLIC ACID [3-((S)-2-AMINO-1,4-DIMETHYL-6-OXO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-4-YL)-PHENYL]-AMIDE
3zkm[ABC][ABC][A2B]1.85
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PCA:PYROGLUTAMIC ACID
SO4:SULFATE ION
3zkn[ABC][ABC][A2B]2
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PCA:PYROGLUTAMIC ACID
SO4:SULFATE ION
WZV:5-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE-2-CARBOXYLIC ACID[3-((S)-2-AMINO-1,4-DIMETHYL-6-OXO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-4-YL)-PHENYL]-AMIDE
3zkq[AB][AB][AB]1.51
B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
CL:CHLORIDE ION
3zks[AB][AB][AB]2.11
WZV:5-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE-2-CARBOXYLIC ACID [3-((S)-2-AMINO-1,4-DIMETHYL-6-OXO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-4-YL)-PHENYL]-AMIDE
3zkx[ABC][A2B][A2B]2.37
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
3zl7[AB][AB][AB]3.2
3zlq[A2B2][A2B2][A2B2]2.1
6T9:5-ETHOXY-PYRIDINE-2-CARBOXYLIC ACID [3-((R)-2-AMINO-5,5-DIFLUORO-4-METHYL-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-4-FLUORO-PHENYL]-AMIDE
3zmg[A][A][A]1.74
6Z0:N-[3-[(4R)-2-AZANYLIDENE-5,5-BIS(FLUORANYL)-4-METHYL-1,3-OXAZINAN-4-YL]-4-FLUORANYL-PHENYL]-5-CYANO-PYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
3zov[A][A][A]2.1
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
WZV:5-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINE-2-CARBOXYLIC ACID[3-((S)-2-AMINO-1,4-DIMETHYL-6-OXO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-4-YL)-PHENYL]-AMIDE
3zps[A2][A2][A2]1.55
CL:CHLORIDE ION
EQM:METHYL N-[(2S)-1-[2-[(4-BROMOPHENYL)METHYL]-2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-OXIDANYLIDENE-1-(PROP-2-ENYLAMINO)BUTAN-2-YL]AMINO]-4-OXIDANYL-5-OXIDANYLIDENE-4-(PHENYLMETHYL)PENTYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
3zpt[A2][A2][A2]1.54
CL:CHLORIDE ION
M8Y:METHYL N-[(2S)-1-[2-[(4-BROMOPHENYL)METHYL]-2-[3-[(3Z,8S,11R)-11-OXIDANYL-7,10-BIS(OXIDANYLIDENE)-8-PROPAN-2-YL-6,9-DIAZABICYCLO[11.2.2]HEPTADECA-1(16),3,13(17),14-TETRAEN-11-YL]PROPYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
3zpu[A2][A2][A2]1.8
CL:CHLORIDE ION
M8B:METHYL N-[(2S)-1-[2-[(4-BROMOPHENYL)METHYL]-2-[3-[(3Z,8S,11R)-8-TERT-BUTYL-11-OXIDANYL-7,10-BIS(OXIDANYLIDENE)-6,9-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),3,13,16-TETRAEN-11-YL]PROPYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
4a4q[A2][A2][A2]1.8
UX9:METHYL [(2S)-1-{2-(2-{(3R,4S)-3-BENZYL-4-HYDROXY-1-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2-OXOPYRROLIDIN-3-YL}ETHYL)-2-[4-(PYRIDIN-4-YL)BENZYL]HYDRAZINYL}-3,3-DIMETHYL-1-OXOBUTAN-2-YL]CARBAMATE
4a6b[A2][A2][A2]1.8
QG8:METHYL ((S)-1-(2-([1,1___sq___-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE
4a6c[A2][A2][A2]1.5
QG9:METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE
4aa8[A2][A2][A2]1.8
CL:CHLORIDE ION
4aa9[A][A][A]1.6
GOL:GLYCEROL
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4acu[A][A][A]1.75
ACT:ACETATE ION
QN7:(8S)-3,3-DIFLUORO-8-(2___sq___-FLUORO-3___sq___-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE
4acx[A][A][A]2
ACT:ACETATE ION
S8Z:(8R)-8-[4-(DIFLUOROMETHOXY)PHENYL]-3,3-DIFLUORO-8-[3-(3-METHOXYPROP-1-YN-1-YL)PHENYL]-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE
4amt[A2][A2][A2]2.6
BMA:BETA-D-MANNOPYRANOSE
FUC:ALPHA-L-FUCOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4ape[A][A][A]2.1
4apr[A][a][A][a][A][a]2.5
STA:STATINE
4auc[A][a][A][a][A][a]1.6
CD:CADMIUM ION
EDO:1,2-ETHANEDIOL
IVA:ISOVALERIC ACID
NA:SODIUM ION
STA:STATINE
4azy[A][A][A]1.79
7F3:(1S)-4-FLUORO-1-(4-FLUORO-3-PYRIMIDIN-5-YLPHENYL)-1-[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]-1H-ISOINDOL-3-AMINE
ACT:ACETATE ION
NA:SODIUM ION
4b00[A][A][A]1.83
ACT:ACETATE ION
I6X:5-{(1R)-3-AMINO-4-FLUORO-1-[3-(5-PROP-1-YN-1-YLPYRIDIN-3-YL)PHENYL]-1H-ISOINDOL-1-YL}-1-ETHYL-3-METHYLPYRIDIN-2(1H)-ONE
4b05[A][A][A]1.8
32D:(1S)-1-[2-(DIFLUOROMETHYL)PYRIDIN-4-YL]-4-FLUORO-1-(3-PYRIMIDIN-5-YLPHENYL)-1H-ISOINDOL-3-AMINE
ACT:ACETATE ION
NA:SODIUM ION
4b0q[A][A][A]1.87
ACT:ACETATE ION
GMF:2-[[3-(3-METHOXYPHENYL)PHENYL]-(4-PYRIDYL)METHYL]GUANIDINE
4b1c[A][A][A]1.95
1B1:(2R)-2-CYCLOPROPYL-5-METHYL-2-[3-(5-PROP-1-YN-1-YLPYRIDIN-3-YL)PHENYL]-2H-IMIDAZOL-4-AMINE
DMS:DIMETHYL SULFOXIDE
4b1d[A][A][A]1.95
6TG:(2S)-2-(4-METHOXY-3,5-DIMETHYLPHENYL)-5-METHYL-2-(3-PYRIMIDIN-5-YLPHENYL)-2H-IMIDAZOL-4-AMINE
ACT:ACETATE ION
4b1e[A][A][A]1.95
6T6:(2R)-2-METHYL-5-PHENYL-2-(3-PYRIDIN-3-YLPHENYL)-2,3-DIHYDRO-1H-IMIDAZOL-4-AMINE
4b70[A][A][A]1.6
WM9:(2S)-2-[3-(3-CHLOROPHENYL)PHENYL]-2-METHYL-5,6-DIHYDRO-1,3-OXAZIN-4-AMINE
4b72[A][A][A]1.6
2FB:(6R)-6-(4-METHOXYPHENYL)-2-METHYL-6-(3-PYRIMIDIN-5-YLPHENYL)PYRROLO[3,4-D][1,3]THIAZOL-4-AMINE
4b77[A][A][A]1.8
54M:(5R)-5-(4-METHOXYPHENYL)-5-(3-PYRIMIDIN-5-YLPHENYL)-3,4-DIHYDROPYRROL-2-AMINE
DMS:DIMETHYL SULFOXIDE
4b78[A][A][A]1.5
KGG:(3R,5R)-3-METHOXY-5-(4-METHOXYPHENYL)-5-(3-PYRIDIN-3-YLPHENYL)-3,4-DIHYDROPYRROL-2-AMINE
4bek[A][A][A]2.39
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
XK0:(4S)-4-(4-METHOXYPHENYL)-4-METHYL-5,6-DIHYDRO-1,3-THIAZIN-2-AMINE
4bel[AB][AB][AB]1.85
B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
CL:CHLORIDE ION
4bfb[AB][AB][AB]2.21
B3P:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
4bfd[A][A][A]2.3
8T3:N-[3-[(1S,3S,6S)-5-AZANYL-3-METHYL-4-AZABICYCLO[4.1.0]HEPT-4-EN-3-YL]-4-FLUORANYL-PHENYL]-5-CHLORANYL-PYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4cku[A4][A4][A4]1.85
P2F:5-[1,1-BIS(OXIDANYLIDENE)-1,2-THIAZINAN-2-YL]-N3-[(2S,3R)-4-[2-(3-METHOXYPHENYL)PROPAN-2-YLAMINO]-3-OXIDANYL-1-PHENYL-BUTAN-2-YL]-N1,N1-DIPROPYL-BENZENE-1,3-DICARBOXAMIDE
4cms[A][A][A]2.2
4coe[A2][A2][A2]2.45
CL:CHLORIDE ION
M17:METHYL {(2S)-1-[2-(BIPHENYL-4-YLMETHYL)-2-{(4R)-4-HYDROXY-5-{[(2S)-3-METHYL-1-OXO-1-(PROP-2-EN-1-YLAMINO)BUTAN-2-YL]AMINO}-5-OXO-4-[4-(PROP-2-EN-1-YL)BENZYL]PENTYL}HYDRAZINYL]-3,3-DIMETHYL-1-OXOBUTAN-2-YL}CARBAMATE
4cp7[A2][A2][A2]1.8
9MW:METHYL [(2S)-1-(2-{(4R)-4-HYDROXY-5-{[(2S)-3-METHYL-1-OXO-1-(PROP-2-EN-1-YLAMINO)BUTAN-2-YL]AMINO}-5-OXO-4-[4-(PROP-2-EN-1-YL)BENZYL]PENTYL}-2-[4-(PYRIDIN-4-YL)BENZYL]HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
4cpq[A2][A2][A2]2.35
9MW:METHYL [(2S)-1-(2-{(4R)-4-HYDROXY-5-{[(2S)-3-METHYL-1-OXO-1-(PROP-2-EN-1-YLAMINO)BUTAN-2-YL]AMINO}-5-OXO-4-[4-(PROP-2-EN-1-YL)BENZYL]PENTYL}-2-[4-(PYRIDIN-4-YL)BENZYL]HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
4cpr[A2][A2][A2]1.8
378:METHYL ~{N}-[(2~{S})-3,3-DIMETHYL-1-[2-[(4~{R})-5-[[(2~{S})-3-METHYL-1-OXIDANYLIDENE-1-(PROP-2-ENYLAMINO)BUTAN-2-YL]AMINO]-4-OXIDANYL-5-OXIDANYLIDENE-4-[(4-PROP-2-ENYLPHENYL)METHYL]PENTYL]-2-[(4-THIOPHEN-2-YLPHENYL)METHYL]HYDRAZINYL]-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
4cps[A2][A2][A2]1.55
1T8:METHYL [(2S)-1-(2-{3-[(3R,6S,10Z)-3-HYDROXY-4,7-DIOXO-6-(PROPAN-2-YL)-5,8-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),10,13,16-TETRAEN-3-YL]PROPYL}-2-[4-(PYRIDIN-3-YL)BENZYL]HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
4cpt[A2][A2][A2]1.7
1T8:METHYL [(2S)-1-(2-{3-[(3R,6S,10Z)-3-HYDROXY-4,7-DIOXO-6-(PROPAN-2-YL)-5,8-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),10,13,16-TETRAEN-3-YL]PROPYL}-2-[4-(PYRIDIN-3-YL)BENZYL]HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
4cpu[A2][A2][A2]1.82
CL:CHLORIDE ION
V78:METHYL N-[(2S)-1-[2-[[4-[(3S)-3,4-DIHYDROTHIOPHEN-3-YL]PHENYL]METHYL]-2-[3-[(3Z,8S,11R)-11-OXIDANYL-7,10-BIS(OXIDANYLIDENE)-8-PROPAN-2-YL-6,9-DIAZABICYCLO[11.2.2]HEPTADECA-1(16),3,13(17),14-TETRAEN-11-YL]PROPYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
4cpw[A2][A2][A2]1.7
CL:CHLORIDE ION
V78:METHYL N-[(2S)-1-[2-[[4-[(3S)-3,4-DIHYDROTHIOPHEN-3-YL]PHENYL]METHYL]-2-[3-[(3Z,8S,11R)-11-OXIDANYL-7,10-BIS(OXIDANYLIDENE)-8-PROPAN-2-YL-6,9-DIAZABICYCLO[11.2.2]HEPTADECA-1(16),3,13(17),14-TETRAEN-11-YL]PROPYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
4cpx[A2][A2][A2]1.85
CL:CHLORIDE ION
J3W:METHYL ~{N}-[(2~{S})-3,3-DIMETHYL-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-OXIDANYL-4,7-BIS(OXIDANYLIDENE)-6-PROPAN-2-YL-5,8-DIAZABICYCLO[11.2.2]HEPTADECA-1(16),10,13(17),14-TETRAEN-3-YL]PROPYL]-2-[(4-THIOPHEN-2-YLPHENYL)METHYL]HYDRAZINYL]-1-OXIDANYLIDENE-BUTAN-2-YL]CARBAMATE
4d83[A][A][A]2.4
0GT:(3R,4S,5S)-3-[(3-TERT-BUTYLBENZYL)AMINO]-5-{[3-(2,2-DIFLUOROETHYL)-1H-INDOL-5-YL]METHYL}TETRAHYDRO-2H-THIOPYRAN-4-OL 1,1-DIOXIDE
4d85[A][A][A]2.65
0GU:(3R,4S,5S)-3-[(3-TERT-BUTYLBENZYL)AMINO]-5-[(4,4,7___sq___-TRIFLUORO-1___sq___,2___sq___-DIHYDROSPIRO[CYCLOHEXANE-1,3___sq___-INDOL]-5___sq___-YL)METHYL]TETRAHYDRO-2H-THIOPYRAN-4-OL 1,1-DIOXIDE
IOD:IODIDE ION
4d88[A][A][A]1.7
BXQ:(3S,4S,5R)-3-{4-AMINO-3-FLUORO-5-[(2S)-3,3,3-TRIFLUORO-2-HYDROXYPROPYL]BENZYL}-5-[(3-TERT-BUTYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL 1,1-DIOXIDE
4d89[A][A][A]1.65
BXD:(3S,4S,5R)-3-(4-AMINO-3-{[(2R)-3-ETHOXY-1,1,1-TRIFLUOROPROPAN-2-YL]OXY}-5-FLUOROBENZYL)-5-[(3-TERT-BUTYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL 1,1-DIOXIDE
4d8c[A][A][A]2.07
BXD:(3S,4S,5R)-3-(4-AMINO-3-{[(2R)-3-ETHOXY-1,1,1-TRIFLUOROPROPAN-2-YL]OXY}-5-FLUOROBENZYL)-5-[(3-TERT-BUTYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL 1,1-DIOXIDE
SO4:SULFATE ION
4dfg[A2][A2][A2]1.23
0JV:METHYL N-[(3S,3AR,5R,6AR)-5-[[(2S,3R)-4-[(4-METHOXYPHENYL)SULFONYL-(2-METHYLPROPYL)AMINO]-3-OXIDANYL-1-PHENYL-BUTAN-2-YL]CARBAMOYLOXY]-3,3A,4,5,6,6A-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-3-YL]CARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
4dh6[A][A][A]2.5
0KN:(2R)-N-[(2S,3R)-1-(1,3-BENZODIOXOL-5-YL)-4-{[(4___sq___S)-6___sq___-(2,2-DIMETHYLPROPYL)-3___sq___,4___sq___-DIHYDROSPIRO[CYCLOBUTANE-1,2___sq___-PYRANO[2,3-B]PYRIDIN]-4___sq___-YL]AMINO}-3-HYDROXYBUTAN-2-YL]-2-METHOXYPROPANAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
4di2[A][A][A]2
0K9:(2R)-N-{(2S,3R)-4-{[(4___sq___S)-6___sq___-(2,2-DIMETHYLPROPYL)-3___sq___,4___sq___-DIHYDROSPIRO[CYCLOBUTANE-1,2___sq___-PYRANO[2,3-B]PYRIDIN]-4___sq___-YL]AMINO}-3-HYDROXY-1-[3-(1,3-THIAZOL-2-YL)PHENYL]BUTAN-2-YL}-2-METHOXYPROPANAMIDE
GOL:GLYCEROL
4djo[A2][A2][A2]1.78
ACT:ACETATE ION
GOL:GLYCEROL
MK5:2-[(DICHLOROACETYL)AMINO]ETHYL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
PO4:PHOSPHATE ION
4djp[A2][A2][A2]1.4
M73:METHYL (2S)-3-({[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-PHENYLBUTAN-2-YL]CARBAMOYL}OXY)-2-METHYLPROPANOATE
PO4:PHOSPHATE ION
4djq[A2][A2][A2]1.4
M86:2-(2-OXOIMIDAZOLIDIN-1-YL)ETHYL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
PO4:PHOSPHATE ION
4djr[A2][A2][A2]1.55
0KJ:[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL [(2S,3R)-4-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
PO4:PHOSPHATE ION
4dju[A][A][A]1.8
0KK:(2E)-2-IMINO-3-METHYL-5,5-DIPHENYLIMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4djv[A][A][A]1.73
0KM:(2E,5R)-2-IMINO-5-(3___sq___-METHOXYBIPHENYL-3-YL)-3-METHYL-5-PHENYLIMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4djw[A][A][A]1.9
0KP:(2E,5R)-2-IMINO-3-METHYL-5-PHENYL-5-[3-(PYRIDIN-3-YL)PHENYL]IMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4djx[A][A][A]1.5
0KQ:(2E,5R)-5-[3-(5-CHLOROPYRIDIN-3-YL)PHENYL]-5-CYCLOPROPYL-2-IMINO-3-METHYLIMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4djy[A][A][A]1.86
0KR:(2E,5R)-5-CYCLOPROPYL-2-IMINO-3-METHYL-5-{3-[5-(PROP-1-YN-1-YL)PYRIDIN-3-YL]PHENYL}IMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4dpf[A][A][A]1.8
0LG:N-[(4S,8E,11S)-4-[(1R)-1-HYDROXY-2-{[3-(PROPAN-2-YL)BENZYL]AMINO}ETHYL]-2,13-DIOXO-11-PHENYL-6-OXA-3,12-DIAZABICYCLO[12.3.1]OCTADECA-1(18),8,14,16-TETRAEN-16-YL]-N-METHYLMETHANESULFONAMIDE
4dpi[A][A][A]1.9
0N1:(4S,8E,11R)-4-[(1R)-1-HYDROXY-2-{[3-(PROPAN-2-YL)BENZYL]AMINO}ETHYL]-16-METHYL-11-PHENYL-6-OXA-3,12-DIAZABICYCLO[12.3.1]OCTADECA-1(18),8,14,16-TETRAENE-2,13-DIONE
4dqb[A2][A2][A2]1.5
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
PO4:PHOSPHATE ION
4dqc[A2][A2][A2]1.94
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
GOL:GLYCEROL
PO4:PHOSPHATE ION
4dqe[A2][A2][A2]1.3
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
4dqf[A2][A2][A2]1.9
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
SO4:SULFATE ION
4dqg[A2][A2][A2]2.79
ACT:ACETATE ION
GOL:GLYCEROL
HGU:N-HYDROXYGUANIDINE
OXY:OXYGEN MOLECULE
PO4:PHOSPHATE ION
4dqh[A2][A2][A2]1.79
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
GOL:GLYCEROL
4dus[A][A][A]2.5
0MP:N-((2S,3R)-1-(4-FLUOROPHENYL)-3-HYDROXY-4-((6___sq___-NEOPENTYL-3___sq___,4___sq___-DIHYDROSPIRO[CYCLOBUTANE-1,2___sq___-PYRANO[2,3-B]PYRIDIN]-4___sq___-YL)AMINO)BUTAN-2-YL)ACETAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
4dv9[A][a][A][a][A][a]2.08
2OP:(2S)-2-HYDROXYPROPANOIC ACID
GNC:N~2~-METHYL-L-GLUTAMINE
PLJ:METHYL L-PROLINATE
PSA:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
SO4:SULFATE ION
ZAE:N-METHYL-D-PHENYLALANINE
4dvf[A][a][A][a][A][a]1.8
PLJ:METHYL L-PROLINATE
PSA:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
QSC:(1R)-1-PHENYLETHANAMINE
USC:5-[(METHYLSULFONYL)AMINO]BENZENE-1,3-DICARBOXYLIC ACID
ZAE:N-METHYL-D-PHENYLALANINE
4e43[A2][a][A2][a][A2][a]1.54
ACT:ACETATE ION
BME:BETA-MERCAPTOETHANOL
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4ehc[A][A][A]1.98
EDO:1,2-ETHANEDIOL
MSE:SELENOMETHIONINE
ZN:ZINC ION
4ej8[A2][A2][A2]2.35
1F1:1H-INDOLE-6-CARBOXYLIC ACID
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
4ejd[A2][a][A2][a][A2][a]1.1
1F1:1H-INDOLE-6-CARBOXYLIC ACID
BME:BETA-MERCAPTOETHANOL
GOL:GLYCEROL
IVA:ISOVALERIC ACID
STA:STATINE
4ejk[A2][a][A2][a][A2][a]1.79
IOP:INDOLYLPROPIONIC ACID
IVA:ISOVALERIC ACID
STA:STATINE
4ejl[A2][A2][A2]2.45
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOP:INDOLYLPROPIONIC ACID
PEG:DI(HYDROXYETHYL)ETHER
4ep2[A][a][A][a][A][a]1.9
GOL:GLYCEROL
PO4:PHOSPHATE ION
4ep3[A][a][A][a][A][a]1.81
BME:BETA-MERCAPTOETHANOL
GOL:GLYCEROL
4epj[A][a][A][a][A][a]1.69
ACT:ACETATE ION
BME:BETA-MERCAPTOETHANOL
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4eq0[A][a][A][a][A][a]1.7
ACT:ACETATE ION
BME:BETA-MERCAPTOETHANOL
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PO4:PHOSPHATE ION
4eqj[A][a][A][a][A][a]1.8
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4er1[A][A][A]2
0ZP:N-[(1R,2R,4R)-1-(CYCLOHEXYLMETHYL)-2-HYDROXY-6-METHYL-4-{[(2R)-2-METHYLBUTYL]CARBAMOYL}HEPTYL]-3-(1H-IMIDAZOL-3-IUM-4-YL)-N~2~-[3-NAPHTHALEN-1-YL-2-(NAPHTHALEN-1-YLMETHYL)PROPANOYL]-L-ALANINAMIDE
4er2[A][a][A][a][A][a]2
IVA:ISOVALERIC ACID
SO4:SULFATE ION
STA:STATINE
4er4[A][a][A][a][A][a]2.1
LAV:N-[(2S)-2-AMINO-4-METHYLPENTYL]-L-VALINE
4ewo[A][A][A]1.8
996:N-[(2S,3R)-4-{[(4S)-2-(2,2-DIMETHYLPROPYL)-6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-2H-INDAZOL-4-YL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]ACETAMIDE
4exg[A][A][A]1.8
916:N-[(2S,3R)-4-{[(4S)-6-(2,2-DIMETHYLPROPYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-THIENO[2,3-B]PYRAN-4-YL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]ACETAMIDE
4exh[A2][a2][A2][a2][A2][a2]2
ACE:ACETYL GROUP
FMT:FORMIC ACID
STA:STATINE
4eyr[A2][A2][A2]1.8
RIT:RITONAVIR
4f73[A2][a2][A2][a2][A2][a2]1.9
ACT:ACETATE ION
GOL:GLYCEROL
4f74[A2][a][A2][a][A2][a]2.2
4f75[A2][ab][A2][ab][A2][ab]1.7
ACT:ACETATE ION
GOL:GLYCEROL
4f76[A2][ab][A2][ab][A2][ab]1.85
4fae[A2][a][A2][a][A2][a]2.3
4faf[A2][a][A2][a][A2][a]2.1
4fco[A][A][A]1.76
0U4:N-[(2S,3R)-4-{[2-(1-BENZYLPIPERIDIN-4-YL)ETHYL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE
SO4:SULFATE ION
URE:UREA
4fe6[A2][A2][A2]2
0TQ:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-3-HYDROXY-4-[({(3Z)-3-[1-(METHYLAMINO)ETHYLIDENE]-2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL}SULFONYL)(2-METHYLPROPYL)AMINO]-1-PHENYLBUTAN-2-YL}CARBAMATE
4fgx[A][a][A][a][A][a]1.59
2OP:(2S)-2-HYDROXYPROPANOIC ACID
GNC:N~2~-METHYL-L-GLUTAMINE
PEG:DI(HYDROXYETHYL)ETHER
PSA:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
SO4:SULFATE ION
URE:UREA
ZAE:N-METHYL-D-PHENYLALANINE
4fiv[A2][A2][A2]1.8
LP1:4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOICACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
4fl8[A2][ab][A2][ab][A2][ab]1.2
CL:CHLORIDE ION
GOL:GLYCEROL
IL0:(2S,3S)-2-AMINO-3-METHYLPENTANE-1,1-DIOL
4flg[A2][abc][A2][abc][A2][abc]1.31
CL:CHLORIDE ION
GLU:GLUTAMIC ACID
GOL:GLYCEROL
ILE:ISOLEUCINE
NA:SODIUM ION
4fm6[A2][a][A2][a][A2][a]1.4
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
4fm7[A][A][A]1.56
0UP:4-{[(5R,7S)-1-(3-FLUOROPHENYL)-3,7-DIMETHYL-2,2-DIOXIDO-2-THIA-1,3,8-TRIAZASPIRO[4.5]DEC-8-YL]METHYL}-2-(PROPAN-2-YLOXY)PHENOL
ZN:ZINC ION
4fm8[A][A][A]1.9
0UQ:(5R,7S)-1-(3-FLUOROPHENYL)-3,7-DIMETHYL-8-[3-(PROPAN-2-YLOXY)BENZYL]-2-THIA-1,3,8-TRIAZASPIRO[4.5]DECANE 2,2-DIOXIDE
EDO:1,2-ETHANEDIOL
ZN:ZINC ION
4fri[A][A][A]2.3
DMS:DIMETHYL SULFOXIDE
DWA:(4R)-4-[3-(2-FLUOROPYRIDIN-3-YL)PHENYL]-4-(4-METHOXYPHENYL)-4,5-DIHYDRO-1,3-OXAZOL-2-AMINE
IOD:IODIDE ION
4frj[A][A][A]1.95
DMS:DIMETHYL SULFOXIDE
DWB:(4S)-2___sq___-(5-CHLORO-2-FLUOROPHENYL)-7___sq___-METHOXYSPIRO[1,3-OXAZOLE-4,9___sq___-XANTHEN]-2-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
4frk[A][A][A]2.1
DWD:(4S)-2___sq___-(2-METHYLPROPOXY)-7___sq___-(PYRIMIDIN-5-YL)SPIRO[1,3-OXAZOLE-4,9___sq___-XANTHEN]-2-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
4frs[A][A][A]1.7
0V6:(2Z,6S)-6-{3-CHLORO-5-[5-(PROP-1-YN-1-YL)PYRIDIN-3-YL]THIOPHEN-2-YL}-2-IMINO-3,6-DIMETHYLTETRAHYDROPYRIMIDIN-4(1H)-ONE
4fs4[A2][A2][A2]1.74
H24:(6S)-2-AMINO-6-(3___sq___-METHOXYBIPHENYL-3-YL)-3,6-DIMETHYL-5,6-DIHYDROPYRIMIDIN-4(3H)-ONE
TLA:L(+)-TARTARIC ACID
4fse[A][A][A]2.65
0VA:N-[N-(4-AMINO-3,5-DICHLOROBENZYL)CARBAMIMIDOYL]-3-(4-METHOXYPHENYL)-5-METHYL-1,2-THIAZOLE-4-CARBOXAMIDE
IOD:IODIDE ION
4fsl[A][A][A]2.5
0VB:N-{N-[4-(ACETYLAMINO)-3-CHLORO-5-METHYLBENZYL]CARBAMIMIDOYL}-3-(4-METHOXYPHENYL)-5-METHYL-1,2-THIAZOLE-4-CARBOXAMIDE
IOD:IODIDE ION
4gb2[A2][A2][A2]1.79
0LQ:(4AS,7AS)-1,4-BIS(DIPHENYLMETHYL)HEXAHYDRO-1H-PYRROLO[3,4-B]PYRAZINE-2,3-DIONE
CL:CHLORIDE ION
GOL:GLYCEROL
4gid[A][A][A]2
0GH:N-[(2S)-1-({(2S,3R)-3-HYDROXY-1-[(2-METHYLPROPYL)AMINO]-1-OXOBUTAN-2-YL}AMINO)-3-PHENYLPROPAN-2-YL]-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE
LPD:L-PROLINAMIDE
4gj5[A][A][A]2.4
0LR:(3R,4R)-3-(NAPHTHALEN-2-YLMETHOXY)-4-PHENYLPIPERIDINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4gj6[A][A][A]2.58
0LS:N-{[(3S,4S)-4-BENZYLPYRROLIDIN-3-YL]METHYL}-4-CHLORO-N-PHENYLANILINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4gj7[A][A][A]2.8
0LT:N-{[(3S,4S)-4-BENZYLPYRROLIDIN-3-YL]METHYL}-4-METHOXY-3-(3-METHOXYPROPOXY)-N-(PROPAN-2-YL)BENZAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4gj8[A][A][A]2.5
0LU:(2S)-1-(PYRROLIDIN-1-YL)-3-(9H-THIOXANTHEN-9-YL)PROPAN-2-OL
0LW:(2R)-1-(PYRROLIDIN-1-YL)-3-(9H-THIOXANTHEN-9-YL)PROPAN-2-OL
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4gj9[A][A][A]2.6
0M2:(2R)-1-(3,8-DIHYDRODIBENZO[B,F]PYRROLO[3,4-D]AZEPIN-2(1H)-YL)PROPAN-2-OL
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4gja[A][A][A]2.6
0M3:(3S,5R)-N-(2,2-DIPHENYLETHYL)-5-{[(4-METHYLPHENYL)SULFONYL]AMINO}PIPERIDINE-3-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4gjb[A][A][A]2.75
0ME:(3S)-N-(9H-XANTHEN-9-YLMETHYL)PIPERIDINE-3-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4gjc[A][A][A]2.4
0MJ:(3S,5R)-5-{[(4-METHYLPHENYL)SULFONYL]AMINO}-N-(9H-XANTHEN-9-YLMETHYL)PIPERIDINE-3-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4gjd[A][A][A]2.65
0N0:(3S,5R)-N-{[9-(4-METHOXYBUTYL)-9H-XANTHEN-9-YL]METHYL}-5-{[(4-METHYLPHENYL)SULFONYL]AMINO}PIPERIDINE-3-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4gmi[A][A][A]1.8
0XA:(4S,8E)-4-[(1R)-2-{[2-(5-TERT-BUTYL-1,3-OXAZOL-2-YL)PROPAN-2-YL]AMINO}-1-HYDROXYETHYL]-16-METHYL-6-OXA-3-AZABICYCLO[12.3.1]OCTADECA-1(18),8,14,16-TETRAENE-2,13-DIONE
ACT:ACETATE ION
GOL:GLYCEROL
4gye[A2][a][A2][a][A2][a]2.27
ILO:N5-IMINOETHYL-L-ORNITHINE
NLE:NORLEUCINE
PUK:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-L-PHENYLALANINE
4gzf[A2][a][A2][a][A2][a]2.05
DC0:N-[(2S)-2-AMINO-4-METHYLPENTYL]-L-PHENYLALANINE
ILO:N5-IMINOETHYL-L-ORNITHINE
NLE:NORLEUCINE
4h1e[A][A][A]1.9
10J:3-{5-[(2E,4AR,7AR)-6-BENZOYL-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE
4h3f[A][A][A]1.7
10O:3-{5-[(2E,4AR,7AR)-2-IMINO-6-(6-METHOXYPYRIDIN-2-YL)-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE
TLA:L(+)-TARTARIC ACID
4h3g[A][A][A]1.85
10Q:2-{(2E,4AR,7AR)-7A-[4-(3-CYANOPHENYL)THIOPHEN-2-YL]-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-6H-PYRROLO[3,4-D]PYRIMIDIN-6-YL}PYRIDINE-3-CARBONITRILE
TLA:L(+)-TARTARIC ACID
4h3i[A][A][A]1.96
10V:3-{5-[(2E,4AR,7AR)-2-IMINO-6-(3-METHOXYPYRIDIN-2-YL)-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE
TLA:L(+)-TARTARIC ACID
4h3j[A][A][A]1.6
10W:2-FLUORO-5-{5-[(2E,4AR,7AR)-2-IMINO-3-METHYL-4-OXO-6-PHENYLOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-2-YL}BENZONITRILE
TLA:L(+)-TARTARIC ACID
4ha5[A][A][A]1.83
13W:3-{5-[(2E,4S)-2-IMINO-1,4-DIMETHYL-6-OXOHEXAHYDROPYRIMIDIN-4-YL]THIOPHEN-3-YL}BENZONITRILE
TLA:L(+)-TARTARIC ACID
4hdb[A2][A2][A2]1.49
CL:CHLORIDE ION
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
NA:SODIUM ION
4hdf[A2][A2][A2]1.29
CL:CHLORIDE ION
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
4hdp[A2][A2][A2]1.22
CL:CHLORIDE ION
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
NA:SODIUM ION
4he9[A2][A2][A2]1.06
CL:CHLORIDE ION
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
NA:SODIUM ION
4heg[A2][A2][A2]1.46
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
4hla[A2][A2][A2]1.95
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
4hvp[A2][A2][A2]2.3
2NC:N-{(2S)-2-[(N-ACETYL-L-THREONYL-L-ISOLEUCYL)AMINO]HEXYL}-L-NORLEUCYL-L-GLUTAMINYL-N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHINAMIDE
ABA:ALPHA-AMINOBUTYRIC ACID
4hzt[A][A][A]1.8
0ZA:3-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-1,2,4-OXADIAZOL-5(2H)-ONE
ZN:ZINC ION
4i0d[A][A][A]1.91
1B7:N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-3-(4-PROPYLTHIOPHEN-3-YL)-L-ALANINE
ZN:ZINC ION
4i0e[A][A][A]1.7
1B8:3-[2-BROMO-4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]-N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-L-ALANINE
ZN:ZINC ION
4i0f[A][A][A]1.8
1BF:N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-3-[4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]-L-ALANINE
ZN:ZINC ION
4i0g[A][A][A]1.78
1B9:3-(4-BROMOTHIOPHEN-3-YL)-N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-L-ALANINE
ZN:ZINC ION
4i0h[A][A][A]2.2
1BL:(2R)-5-{[(2S,3R)-4-{[1-(3-TERT-BUTYLPHENYL)CYCLOHEXYL]AMINO}-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]AMINO}-2-HYDROXY-5-OXOPENTANOIC ACID
4i0i[A][A][A]2.2
957:N-[(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-({1-[4-(2,2-DIMETHYLPROPYL)THIOPHEN-2-YL]CYCLOPROPYL}AMINO)-2-HYDROXYPROPYL]ACETAMIDE
4i0j[A][A][A]1.99
842:N-[(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-({1-[3-(1H-PYRAZOL-1-YL)PHENYL]CYCLOHEXYL}AMINO)PROPYL]ACETAMIDE
ZN:ZINC ION
4i0z[A][A][A]1.8
1BB:2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE
ZN:ZINC ION
4i10[A][A][A]2.07
1BS:2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}PYRIDO[4,3-D]PYRIMIDIN-4(1H)-ONE
ZN:ZINC ION
4i11[A][A][A]1.89
1CH:N-(3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-L-PHENYLALANINE
ZN:ZINC ION
4i12[A][A][A]1.78
1BC:2-{(1S)-1-{[(1Z)-6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1(2H)-YLIDENE]AMINO}-2-[2-PROPYL-4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]ETHYL}PYRIMIDIN-4(5H)-ONE
NA:SODIUM ION
ZN:ZINC ION
4i1c[A][A][A]2
1BE:N-(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)-3-[2-PROPYL-4-(1H-PYRAZOL-4-YL)THIOPHEN-3-YL]-L-ALANINE
ZN:ZINC ION
4i8w[A2][A2][A2]1.96
G07:4-{[(2R,3S)-3-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-2-HYDROXY-4-PHENYLBUTYL](2-METHYLPROPYL)SULFAMOYL}BENZOIC ACID
4i8z[A2][A2][A2]1.75
G08:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(2S,3R)-4-{[(4-CARBAMOYLPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
4ivs[A][A][A]2.64
VSI:N-{N-[4-(ACETYLAMINO)-3,5-DICHLOROBENZYL]CARBAMIMIDOYL}-2-(6-CYANO-1H-INDOL-1-YL)ACETAMIDE
4ivt[A][A][A]1.6
SO4:SULFATE ION
VTI:N-{N-[4-(ACETYLAMINO)-3,5-DICHLOROBENZYL]CARBAMIMIDOYL}-2-(1H-INDOL-1-YL)ACETAMIDE
4j0p[A][A][A]1.97
1H8:N-{3-[(4S)-2-AMINO-4-METHYL-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j0t[A][A][A]2.05
6T9:5-ETHOXY-PYRIDINE-2-CARBOXYLIC ACID [3-((R)-2-AMINO-5,5-DIFLUORO-4-METHYL-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-4-FLUORO-PHENYL]-AMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j0v[A][A][A]1.94
1H7:N-{3-[(4R,5R)-2-AMINO-5-FLUORO-4-METHYL-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j0y[A][A][A]1.77
1H6:N-{3-[(4R,5S)-2-AMINO-5-FLUORO-4-METHYL-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j0z[A][A][A]2.13
1H5:N-{3-[(4S,5R)-2-AMINO-5-FLUORO-4-(FLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j17[A][A][A]1.81
1HQ:N-{3-[(4S)-2-AMINO-4-(DIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j1c[A][A][A]2.01
1HO:N-{3-[(4S)-2-AMINO-5,5-DIFLUORO-4-(FLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j1e[A][A][A]1.78
1HM:N-{3-[(4S,6S)-2-AMINO-4-(FLUOROMETHYL)-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j1f[A][A][A]2.25
1HL:N-{3-[(4S,6S)-2-AMINO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j1h[A][A][A]2.2
1HJ:N-{3-[(4S,6R)-2-AMINO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j1i[A][A][A]2.05
1HH:N-{3-[(4R,5R,6R)-2-AMINO-5-FLUORO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j1k[A][A][A]2.18
1HG:N-{3-[(4R,5R,6S)-2-AMINO-5-FLUORO-4-METHYL-6-(TRIFLUOROMETHYL)-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL]-4-FLUOROPHENYL}-5-CYANOPYRIDINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
4j54[A2][A2][A2]1.55
ACT:ACETATE ION
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
IOD:IODIDE ION
4j55[A2][A2][A2]1.31
031:(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-([(4-METHOXYPHENYL)SULFONYL]{[(2R)-5-OXOPYRROLIDIN-2-YL]METHYL}AMINO)PROPYL]CARBAMATE
4j5j[A2][A2][A2]1.8
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
CL:CHLORIDE ION
4jec[A2][A2][A2]2.01
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
CL:CHLORIDE ION
4joo[A][A][A]1.8
1M4:(4R)-2___sq___-AMINO-6-BROMO-1___sq___,2,2-TRIMETHYL-2,3-DIHYDROSPIRO[CHROMENE-4,4___sq___-IMIDAZOL]-5___sq___(1___sq___H)-ONE
NI:NICKEL (II) ION
4jp9[A][A][A]1.8
1M5:(4R)-2___sq___-AMINO-6-(3-CHLOROPHENYL)-1___sq___,2,2-TRIMETHYL-2,3-DIHYDROSPIRO[CHROMENE-4,4___sq___-IMIDAZOL]-5___sq___(1___sq___H)-ONE
NI:NICKEL (II) ION
4jpc[A][A][A]1.8
1M6:3-[(4R)-2___sq___-AMINO-1___sq___,2,2-TRIMETHYL-5___sq___-OXO-1___sq___,2,3,5___sq___-TETRAHYDROSPIRO[CHROMENE-4,4___sq___-IMIDAZOL]-6-YL]BENZONITRILE
NI:NICKEL (II) ION
4jpe[A][A][A]1.8
1M7:(4R)-2-AMINO-1,3___sq___,3___sq___-TRIMETHYL-7___sq___-(PYRIMIDIN-5-YL)-3___sq___,4___sq___-DIHYDRO-2___sq___H-SPIRO[IMIDAZOLE-4,1___sq___-NAPHTHALEN]-5(1H)-ONE
NI:NICKEL (II) ION
4k4p[A2][A2][A2]2.31
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
NO3:NITRATE ION
4k4q[A2][A2][A2]1.8
06B:3-BROMO-2,6-DIMETHOXYBENZOIC ACID
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
BME:BETA-MERCAPTOETHANOL
DMS:DIMETHYL SULFOXIDE
NO3:NITRATE ION
4k4r[A2][A2][A2]1.8
27B:1-BROMONAPHTHALENE-2-CARBOXYLIC ACID
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
BR:BROMIDE ION
DMS:DIMETHYL SULFOXIDE
NO3:NITRATE ION
4k8s[A][A][A]2.39
1QT:(3S)-3-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1___sq___-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-4-AZABICYCLO[11.3.1]HEPTADECA-1(17),13,15-TRIEN-5-ONE
4k9h[A][A][A]2.29
1QU:1-CYCLOPENTYL-N-[(2S,3R)-3-HYDROXY-1-PHENYL-4-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}BUTAN-2-YL]-6-OXO-5-(2-OXOPYRROLIDIN-1-YL)-1,6-DIHYDROPYRIDINE-3-CARBOXAMIDE
4kb9[A2][A2][A2]1.29
ACT:ACETATE ION
CL:CHLORIDE ION
G79:(3AR,3BR,4S,7AR,8AS)-DECAHYDROFURO[2,3-B][1]BENZOFURAN-4-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
4ke0[A][A][A]2.3
1R8:(3S)-3-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1___sq___-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-4-AZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIEN-5-ONE
GOL:GLYCEROL
SO4:SULFATE ION
4ke1[A][A][A]1.91
1R6:(12S)-12-[(1R)-2-{[(4S)-6-ETHYL-3,4-DIHYDROSPIRO[CHROMENE-2,1___sq___-CYCLOBUTAN]-4-YL]AMINO}-1-HYDROXYETHYL]-1,13-DIAZATRICYCLO[13.3.1.1~6,10~]ICOSA-6(20),7,9,15(19),16-PENTAENE-14,18-DIONE
GOL:GLYCEROL
IOD:IODIDE ION
4kup[A][A][A]1.31
1TZ:(2S)-2-AZANYL-3-(3H-INDOL-3-YL)-N-[(E)-(2,4,6-TRIMETHYLPHENYL)METHYLIDENEAMINO]PROPANAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4l1a[AB][A2][A2]1.9
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
4l6b[A][A][A]1.37
1VS:N-ETHYL-2-({N-[2-(1H-INDOL-3-YL)ETHYL]GLYCYL}AMINO)-4-PHENYLTHIOPHENE-3-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4l7g[A][A][A]1.38
1W0:(3AS,7AR)-7A-[3-(PYRIMIDIN-5-YL)PHENYL]-3A,6,7,7A-TETRAHYDRO-4H-PYRANO[4,3-D][1,3]OXAZOL-2-AMINE
DMS:DIMETHYL SULFOXIDE
4l7h[A][A][A]1.85
1W1:2-[(3AR,7AR)-2-AMINO-7A-(2,4-DIFLUOROPHENYL)-3A,6,7,7A-TETRAHYDRO[1,3]OXAZOLO[5,4-C]PYRIDIN-5(4H)-YL]PYRIDINE-3-CARBONITRILE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
4l7j[A][A][A]1.65
1W2:2-[(3AS,7AR)-2-AMINO-3A-(2,4-DIFLUOROPHENYL)-3A,6,7,7A-TETRAHYDRO[1,3]OXAZOLO[4,5-C]PYRIDIN-5(4H)-YL]PYRIDINE-3-CARBONITRILE
ACT:ACETATE ION
4lap[A][A][A]1.12
1VT:N-BENZYL-2-[(N-BENZYL-BETA-ALANYL)AMINO]-4-PHENYLTHIOPHENE-3-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4lbt[A][A][A]1.25
1TZ:(2S)-2-AZANYL-3-(3H-INDOL-3-YL)-N-[(E)-(2,4,6-TRIMETHYLPHENYL)METHYLIDENEAMINO]PROPANAMIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4lc7[A][A][A]1.7
1WP:(3AR,7AR)-3A-[3-(5-CHLOROPYRIDIN-3-YL)PHENYL]-3A,4,5,6,7,7A-HEXAHYDRO-1,3-BENZOXAZOL-2-AMINE
NI:NICKEL (II) ION
4lhh[A][A][A]1.73
1TZ:(2S)-2-AZANYL-3-(3H-INDOL-3-YL)-N-[(E)-(2,4,6-TRIMETHYLPHENYL)METHYLIDENEAMINO]PROPANAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4ll3[A2][A2][A2]1.95
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
4lp9[A][a][A][a][A][a]1.35
22G:N-[(2S)-2-AMINO-3-PHENYLPROPYL]-L-TYROSINE
GOL:GLYCEROL
SO4:SULFATE ION
4lxa[A][A][A]1.95
1YS:(1R,3S,4S,5R)-3-{4-AMINO-3-FLUORO-5-[(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)OXY]BENZYL}-5-[(3-TERT-BUTYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL 1-OXIDE
GOL:GLYCEROL
PO4:PHOSPHATE ION
4lxk[A][A][A]2.05
1YT:(1R,3S,4S,5R)-3-(4-AMINO-3-FLUORO-5-{[(2R)-1,1,1-TRIFLUORO-3-METHOXYPROPAN-2-YL]OXY}BENZYL)-5-[(3-TERT-BUTYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL 1-OXIDE
GOL:GLYCEROL
4lxm[A][A][A]2.3
1YU:(1S,3S,4S,5R)-3-{4-AMINO-3-FLUORO-5-[(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)OXY]BENZYL}-5-[(3-TERT-BUTYLBENZYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-OL 1-OXIDE
4m8x[A2][A2][A2]2.05
KGQ:DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE
4m8y[A2][A2][A2]2.22
KGQ:DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE
4mc1[A2][A2][A2]1.39
526:(3S)-TETRAHYDROFURAN-3-YL {(2S,3R)-4-[(4S)-4-TERT-BUTYL-7-FLUORO-1,1-DIOXIDO-4,5-DIHYDRO-1,2-BENZOTHIAZEPIN-2(3H)-YL]-3-HYDROXY-1-PHENYLBUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
4mc2[A2][A2][A2]1.56
525:(3S)-TETRAHYDROFURAN-3-YL {(2S,3R)-4-[(4R)-4-TERT-BUTYL-7-FLUORO-1,1-DIOXIDO-4,5-DIHYDRO-1,2-BENZOTHIAZEPIN-2(3H)-YL]-3-HYDROXY-1-PHENYLBUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
4mc6[A2][A2][A2]1.31
23K:1-TERT-BUTYL-3-{(2S,3R)-4-[(4R)-7-FLUORO-1,1-DIOXIDO-4-(PROPAN-2-YL)-4,5-DIHYDRO-1,2-BENZOTHIAZEPIN-2(3H)-YL]-3-HYDROXY-1-PHENYLBUTAN-2-YL}UREA
CL:CHLORIDE ION
EDO:1,2-ETHANEDIOL
4mc9[A2][A2][A2]1.19
23L:(3S)-TETRAHYDROFURAN-3-YL {(2S,3R)-4-[(4R)-7-FLUORO-1,1-DIOXIDO-4-(PROPAN-2-YL)-4,5-DIHYDRO-1,2-BENZOTHIAZEPIN-2(3H)-YL]-3-HYDROXY-1-PHENYLBUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
EDO:1,2-ETHANEDIOL
4n00[A][A][A]1.8
2EX:(4R,4A___sq___S,10A___sq___S)-2-AMINO-8___sq___-(2-FLUOROPYRIDIN-3-YL)-1-METHYL-3___sq___,4___sq___,4A___sq___,10A___sq___-TETRAHYDRO-1___sq___H-SPIRO[IMIDAZOLE-4,10___sq___-PYRANO[4,3-B]CHROMEN]-5(1H)-ONE
NI:NICKEL (II) ION
4njs[A2][A2][A2]1.8
G08:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(2S,3R)-4-{[(4-CARBAMOYLPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
4njt[A2][A2][A2]1.95
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
4nju[A2][A2][A2]1.8
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
4njv[A2][A2][A2]1.8
RIT:RITONAVIR
4nkk[A2][A2][A2]1.8
4npt[A2][A2][A2]1.66
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
GOL:GLYCEROL
4npu[A2][A2][A2]1.5
4obd[A2][a][A2][a][A2][a]1.9
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4obf[A2][a][A2][a][A2][a]1.68
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PO4:PHOSPHATE ION
4obg[A2][a][A2][a][A2][a]1.78
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PO4:PHOSPHATE ION
4obh[A2][a][A2][a][A2][a]1.85
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PO4:PHOSPHATE ION
4obj[A2][a][A2][a][A2][a]1.75
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4obk[A2][a][A2][a][A2][a]1.65
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4obz[A2B2][A2B2][A4]2.9
2S4:2-(3,4-DIMETHOXYPHENYL)-N-[N-(4-METHYLBENZYL)CARBAMIMIDOYL]ACETAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4oc6[A2B2][A2B2][A4]2.64
2S1:2-BROMO-N-[(2S,3S)-4-{[2-(2,4-DICHLOROPHENYL)ETHYL][3-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPANOYL]AMINO}-3-HYDROXY-1-(3-PHENOXYPHENYL)BUTAN-2-YL]-4,5-DIMETHOXYBENZAMIDE
BMA:BETA-D-MANNOPYRANOSE
GOL:GLYCEROL
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4od9[A2B2][A2B2][A4]1.9
2RZ:N-(3,4-DIMETHOXYBENZYL)-NALPHA-{N-[(3,4-DIMETHOXYPHENYL)ACETYL]CARBAMIMIDOYL}-D-PHENYLALANINAMIDE
ACT:ACETATE ION
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4pep[A][A][A]1.8
SEP:PHOSPHOSERINE
4phv[A2][A2][A2]2.1
VAC:N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE
4pph[A6][A6][A6]2.01
EDO:1,2-ETHANEDIOL
FUC:ALPHA-L-FUCOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4pyv[A][A][A]2.65
2XF:TERT-BUTYL {(3S,5R)-5-[CYCLOPROPYL(2,3-DICHLOROBENZYL)CARBAMOYL]PIPERIDIN-3-YL}CARBAMATE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4pzw[A][A][A]1.8
2X4:(4R,4A___sq___S,10A___sq___S)-7___sq___-(5-CHLOROPYRIDIN-3-YL)-3___sq___,4___sq___,4A___sq___,10A___sq___-TETRAHYDRO-1___sq___H-SPIRO[1,3-OXAZOLE-4,5___sq___-PYRANO[3,4-B]CHROMEN]-2-AMINE
NI:NICKEL (II) ION
4pzx[A][A][A]1.8
2X5:(4R,4A___sq___R,10A___sq___R)-7___sq___-(5-CHLOROPYRIDIN-3-YL)-3___sq___,4___sq___,4A___sq___,10A___sq___-TETRAHYDRO-1___sq___H-SPIRO[1,3-OXAZOLE-4,5___sq___-PYRANO[3,4-B]CHROMEN]-2-AMINE
NI:NICKEL (II) ION
4q1n[A][A][A]2.09
2Y9:(3S,4R,5R)-N-CYCLOPROPYL-N___sq___-[(2R)-1-ETHOXY-4-METHYLPENTAN-2-YL]-4-HYDROXY-N-[5-(PROPAN-2-YL)PYRIDIN-2-YL]PIPERIDINE-3,5-DICARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PO4:PHOSPHATE ION
4q1w[A2][A2][A2]1.85
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
4q1x[A2][A2][A2]1.9
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
GOL:GLYCEROL
PO4:PHOSPHATE ION
4q1y[A2][A2][A2]1.5
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
ACT:ACETATE ION
PO4:PHOSPHATE ION
4q5m[A][A][A]1.8
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1 -PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
4qgi[A2][A2][A2]1.9
GOL:GLYCEROL
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
4qj2[A2][a][A2][a][A2][a]2.13
GOL:GLYCEROL
PO4:PHOSPHATE ION
SO4:SULFATE ION
4qj6[A2][a][A2][a][A2][a]1.5
SO4:SULFATE ION
4qj7[A2][a][A2][a][A2][a]1.67
PO4:PHOSPHATE ION
SO4:SULFATE ION
4qj8[A2][a][A2][a][A2][a]2
GOL:GLYCEROL
PO4:PHOSPHATE ION
4qj9[A2][a][A2][a][A2][a]1.83
GOL:GLYCEROL
PO4:PHOSPHATE ION
4qja[A2][a][A2][a][A2][a]1.54
SO4:SULFATE ION
4qlh[A][A][A]2.45
4r5n[A][A][A]1.8
3J9:(4R,4A___sq___S,10A___sq___R)-8___sq___-(2-FLUOROPYRIDIN-3-YL)-4A___sq___-METHYL-3___sq___,4___sq___,4A___sq___,10A___sq___-TETRAHYDRO-2___sq___H-SPIRO[1,3-OXAZOLE-4,10___sq___-PYRANO[3,2-B]CHROMEN]-2-AMINE
NI:NICKEL (II) ION
4r8y[A][A][A]1.9
3KO:(2E,5R)-5-(2-CYCLOHEXYLETHYL)-5-{[(3R)-1-(CYCLOPENTYLACETYL)PYRROLIDIN-3-YL]METHYL}-2-IMINO-3-METHYLIMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4r91[A][A][A]1.58
3KT:(2E,5R)-5-(2-CYCLOHEXYLETHYL)-5-{[(1S,3R)-3-(CYCLOPENTYLAMINO)CYCLOHEXYL]METHYL}-2-IMINO-3-METHYLIMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4r92[A][A][A]1.71
3KU:N-[(1R,3S)-3-{[(2E,4R)-4-(2-CYCLOHEXYLETHYL)-2-IMINO-1-METHYL-5-OXOIMIDAZOLIDIN-4-YL]METHYL}CYCLOHEXYL]PYRIDINE-4-CARBOXAMIDE
TLA:L(+)-TARTARIC ACID
4r93[A][A][A]1.71
779:1-[(1R,3S)-3-{[(2E,4R)-4-(2-CYCLOHEXYLETHYL)-2-IMINO-1-METHYL-5-OXOIMIDAZOLIDIN-4-YL]METHYL}CYCLOHEXYL]-3-PHENYLUREA
TLA:L(+)-TARTARIC ACID
4r95[A][A][A]1.99
3KW:(2E,5R)-5-(2-CYCLOHEXYLETHYL)-2-IMINO-3-METHYL-5-{[(1S,3R)-3-(QUINOLIN-2-YLAMINO)CYCLOHEXYL]METHYL}IMIDAZOLIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
4rcd[A][A][A]1.9
3LL:(5S)-7-(2-FLUOROPYRIDIN-3-YL)-3-[(3-METHYLOXETAN-3-YL)ETHYNYL]SPIRO[CHROMENO[2,3-B]PYRIDINE-5,4___sq___-[1,3]OXAZOL]-2___sq___-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
4rce[A][A][A]2.4
3LN:(4S)-2___sq___-(2,2-DIMETHYLPROPOXY)-7___sq___-(PYRIMIDIN-5-YL)SPIRO[1,3-OXAZOLE-4,9___sq___-XANTHEN]-2-AMINE
IOD:IODIDE ION
4rcf[A][A][A]1.78
3LO:(4S)-2___sq___-(3,6-DIHYDRO-2H-PYRAN-4-YL)-4___sq___-FLUORO-7___sq___-(2-FLUOROPYRIDIN-3-YL)SPIRO[1,3-OXAZOLE-4,9___sq___-XANTHEN]-2-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
4rgh[A2][A2][A2]1.9
CL:CHLORIDE ION
4rld[A][A][A]2.9
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
ZN:ZINC ION
4rrn[A][A][A]1.8
3UW:(4S,4A___sq___S,10A___sq___R)-2-AMINO-8___sq___-(2-FLUOROPYRIDIN-3-YL)-1-METHYL-3___sq___,4___sq___,4A___sq___,10A___sq___-TETRAHYDRO-2___sq___H-SPIRO[IMIDAZOLE-4,10___sq___-PYRANO[3,2-B]CHROMEN]-5(1H)-ONE
NI:NICKEL (II) ION
4rro[A][A][A]1.8
3UX:(4S,4A___sq___R,10A___sq___S)-2-AMINO-8___sq___-(2-FLUOROPYRIDIN-3-YL)-1,4A___sq___-DIMETHYL-3___sq___,4___sq___,4A___sq___,10A___sq___-TETRAHYDRO-2___sq___H-SPIRO[IMIDAZOLE-4,10___sq___-PYRANO[3,2-B]CHROMEN]-5(1H)-ONE
NI:NICKEL (II) ION
4rrs[A][A][A]1.8
3UY:(4R,4A___sq___R,10A___sq___S)-8___sq___-(2-FLUOROPYRIDIN-3-YL)-4A___sq___-METHYL-3___sq___,4___sq___,4A___sq___,10A___sq___-TETRAHYDRO-2___sq___H-SPIRO[1,3-OXAZOLE-4,10___sq___-PYRANO[3,2-B]CHROMEN]-2-AMINE
NI:NICKEL (II) ION
4rvi[A2][A2][A2]1.99
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
4rvj[A2][A2][A2]1.6
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
4rvx[A2][A2][A2]1.96
79G:(4S)-4-AMINO-N-[(2S,3S)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]-3,4-DIHYDRO-2H-CHROMENE-6-CARBOXAMIDE
4ryc[A][A][A]2.45
3ZK:4-METHOXY-3-(3-METHOXYPROPOXY)-N-{[(3S,4S)-4-{[(4-METHYLPHENYL)SULFONYL]AMINO}PYRROLIDIN-3-YL]METHYL}-N-(PROPAN-2-YL)BENZAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4ryg[A][A][A]2.65
3ZJ:N-({(3S,4S)-4-[(BENZYLSULFONYL)AMINO]PYRROLIDIN-3-YL}METHYL)-4-METHOXY-3-(3-METHOXYPROPOXY)-N-(PROPAN-2-YL)BENZAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4rz1[A][A][A]2.6
3ZN:(3S,4S)-4-({[4-METHOXY-3-(3-METHOXYPROPOXY)BENZOYL](PROPAN-2-YL)AMINO}METHYL)PYRROLIDIN-3-YLBENZYLCARBAMATE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
4s1g[A][A][A]2.1
43T:3-{[(4S)-2-AMINO-4-METHYL-6-OXO-4-(PROPAN-2-YL)-5,6-DIHYDROPYRIMIDIN-1(4H)-YL]METHYL}-5-FLUORO-N-[(1S)-1-PHENYLETHYL]BENZAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4trw[A][a][A][a][A][a]2.85
LHE:N-[(2R,3S)-3-AMINO-2-HYDROXY-5-METHYLHEXYL]-L-NORVALINE
TIH:BETA(2-THIENYL)ALANINE
4try[A][a][A][a][A][a]2.75
36D:N-[(2R,3S)-3-AMINO-2-HYDROXY-4-(THIOPHEN-2-YL)BUTANOYL]-L-NORVALINE
TIH:BETA(2-THIENYL)ALANINE
4trz[A][a][A][a][A][a]3.25
TIH:BETA(2-THIENYL)ALANINE
TVA:N-[(2R,3S)-3-AMINO-2-HYDROXY-4-(THIOPHEN-2-YL)BUTYL]-L-NORVALINE
4tvg[A2][a][A2][a][A2][a]2.18
GOL:GLYCEROL
IVA:ISOVALERIC ACID
K97:3-(MORPHOLIN-4-YLMETHYL)-1H-INDOLE-6-CARBOXYLIC ACID
STA:STATINE
4tvh[A2][A2][A2]2.2
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
BME:BETA-MERCAPTOETHANOL
K97:3-(MORPHOLIN-4-YLMETHYL)-1H-INDOLE-6-CARBOXYLIC ACID
4u7q[A2][A2][A2]1.7
3EM:N~2~-({[7-(DIETHYLAMINO)-2-OXO-2H-CHROMEN-4-YL]METHOXY}CARBONYL)-N-[(2S,4S,5S)-4-HYDROXY-1,6-DIPHENYL-5-{[(1,3-THIAZOL-5-YLMETHOXY)CARBONYL]AMINO}HEXAN-2-YL]-L-VALINAMIDE
4u7v[A2][A2][A2]1.38
3EN:N-[(2S,4S,5S)-4-HYDROXY-1,6-DIPHENYL-5-{[(1,3-THIAZOL-5-YLMETHOXY)CARBONYL]AMINO}HEXAN-2-YL]-L-VALINAMIDE
BME:BETA-MERCAPTOETHANOL
4u8w[A2][A2][A2]1.3
ACT:ACETATE ION
CL:CHLORIDE ION
G10:(3R,3AS,6AS)-4,4-DIFLUOROHEXAHYDROFURO[2,3-B]FURAN-3-YL[(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
NA:SODIUM ION
4upj[A2][A2][A2]1.9
U04:({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYLESTER
4wtu[A][A][A]1.85
3UT:(5S)-3-(5,6-DIHYDRO-2H-PYRAN-3-YL)-1-FLUORO-7-(2-FLUOROPYRIDIN-3-YL)SPIRO[CHROMENO[2,3-C]PYRIDINE-5,4___sq___-[1,3]OXAZOL]-2___sq___-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
4wy1[A][A][A]1.98
3VO:(4AR,8AS)-8A-(2,4-DIFLUOROPHENYL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE
4wy6[A][A][A]2.1
3VP:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(FLUOROMETHYL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE
DMS:DIMETHYL SULFOXIDE
IOD:IODIDE ION
4x2l[A][A][A]2.55
3WP:(4S)-4-(2,4-DIFLUOROPHENYL)-4-METHYL-5,6-DIHYDRO-4H-1,3-THIAZIN-2-AMINE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOD:IODIDE ION
NA:SODIUM ION
4x7i[A][A][A]1.77
3YS:N-{3-[(4AS,7AS)-2-AMINO-4A,5-DIHYDRO-4H-FURO[3,4-D][1,3]THIAZIN-7A(7H)-YL]-4-FLUOROPHENYL}-5-FLUOROPYRIDINE-2-CARBOXAMIDE
GOL:GLYCEROL
4xkx[A][A][A]1.8
43K:(5S)-7-(2-FLUOROPYRIDIN-3-YL)-3-(2-FLUOROPYRIDIN-4-YL)SPIRO[CHROMENO[2,3-C]PYRIDINE-5,4___sq___-[1,3]OXAZOL]-2___sq___-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
4xx3[A][A][A]2.4
70X:N-BENZYL-3-{[(2Z,4S)-2-IMINO-4-METHYL-6-OXO-4-(PROPAN-2-YL)TETRAHYDROPYRIMIDIN-1(2H)-YL]METHYL}BENZAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4xx4[A][A][A]2.4
70Y:(2Z,6S)-2-IMINO-6-METHYL-3-{3-[(4R)-2-OXO-4-PHENYLPYRROLIDIN-1-YL]BENZYL}-6-(PROPAN-2-YL)TETRAHYDROPYRIMIDIN-4(1H)-ONE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
4xxs[A][A][A]1.86
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOD:IODIDE ION
SI5:(4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE
4y35[A][A][A]1.46
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
F90:4-CHLOROBENZYL CARBAMIMIDOTHIOATE
GOL:GLYCEROL
4y36[A][A][A]1.59
45L:3-METHYLBENZOHYDRAZIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
4y37[A][A][A]1.69
45J:4-CHLORO-2-METHYLTHIENO[2,3-D][1,2,3]DIAZABORININ-1(2H)-OL
ACT:ACETATE ION
GOL:GLYCEROL
4y38[A][A][A]1.1
0A9:METHYL L-PHENYLALANINATE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y39[A][A][A]1.2
45M:4-BROMO-N___sq___-(3,4-DIHYDRO-2H-PYRROL-5-YL)BENZOHYDRAZIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
4y3a[A][A][A]1.17
45O:6-{[(3R,5S)-3,5-DIMETHYLPIPERIDIN-1-YL]METHYL}-N,N-DIMETHYL-1,3,5-TRIAZINE-2,4-DIAMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y3d[A][A][A]1.48
45N:N-(1,3-BENZODIOXOL-5-YLMETHYL)CYCLOPENTANAMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y3e[A][A][A]1.25
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
F05:1H-ISOINDOL-3-AMINE
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
4y3f[A][A][A]1.4
78B:ETHYL 4-(AMINOMETHYL)BENZOATE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y3g[A][A][A]1.13
463:N-[3-(AMINOMETHYL)PHENYL]ACETAMIDE
GOL:GLYCEROL
4y3h[A][A][A]1.23
45X:2-(PYRIDIN-3-YL)ETHANAMINE
ACT:ACETATE ION
GOL:GLYCEROL
4y3j[A][A][A]1.31
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
HIC:4-METHYL-HISTIDINE
4y3l[A][A][A]1.16
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
TP5:THIOPHENE-3-CARBOXIMIDAMIDE
4y3m[A][A][A]1.55
45Y:2-(4-FLUOROPHENYL)ACETOHYDRAZIDE
ACT:ACETATE ION
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
4y3n[A][A][A]1.34
45V:2-[(1S)-2-ACETYL-1,2-DIHYDROISOQUINOLIN-1-YL]-N,N-DIMETHYLACETAMIDE
ACT:ACETATE ION
GOL:GLYCEROL
4y3p[A][A][A]1.55
46S:1-(6-METHYLPYRIMIDIN-4-YL)AZEPANE
GOL:GLYCEROL
4y3q[A][A][A]1.17
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
F02:4-(DIETHYLAMINO)BENZOHYDRAZIDE
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
4y3r[A][A][A]1.13
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
F06:2-CHLOROBENZYL CARBAMIMIDOTHIOATE
GOL:GLYCEROL
4y3s[A][A][A]1.1
46L:6-(DIMETHYLAMINO)PYRIDINE-3-CARBOXYLIC ACID
ACT:ACETATE ION
GOL:GLYCEROL
4y3t[A][A][A]1.42
46H:(3S)-PIPERIDIN-3-YL(PIPERIDIN-1-YL)METHANONE
46J:(3R)-PIPERIDIN-3-YL(PIPERIDIN-1-YL)METHANONE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y3w[A][A][A]1.58
46Q:(2R)-2-METHYL-2-(MORPHOLIN-4-YL)BUTAN-1-AMINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y3x[A][A][A]1.25
46P:4-METHYL-5-(1-METHYL-1H-IMIDAZOL-2-YL)-1,3-THIAZOL-2-AMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y3y[A][A][A]1.35
ACT:ACETATE ION
DCL:2-AMINO-4-METHYL-PENTAN-1-OL
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y3z[A][A][A]1.12
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
F41:N-(1,3-BENZODIOXOL-5-YL)-2-(PIPERIDIN-1-YL)ACETAMIDE
GOL:GLYCEROL
4y41[A][A][A]1.4
46O:(2R)-2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)PYRROLIDINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y43[A][A][A]1.48
46T:(1E,2E)-N,N___sq___-DI(PROPAN-2-YL)CYCLOHEPTA-3,5-DIENE-1,2-DIIMINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y44[A][A][A]1.24
46Y:4,6-DIMETHYL-2-{[3-(MORPHOLIN-4-YL)PROPYL]AMINO}PYRIDINE-3-CARBONITRILE
ACT:ACETATE ION
GOL:GLYCEROL
4y45[A][A][A]1.06
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
F91:N-(PYRIDIN-4-YLMETHYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-6-AMINE
GOL:GLYCEROL
4y47[A][A][A]1.19
479:4-OXO-N-[(1S)-1-(PYRIDIN-3-YL)ETHYL]-4-(THIOPHEN-2-YL)BUTANAMIDE
ACT:ACETATE ION
GOL:GLYCEROL
4y48[A][A][A]1.25
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GLY:GLYCINE
GOL:GLYCEROL
PRO:PROLINE
4y4a[A][A][A]1.28
47G:5-(AMINOMETHYL)-2-METHOXYPHENOL
ACT:ACETATE ION
GOL:GLYCEROL
4y4b[A][A][A]1.11
47H:6,6,8-TRIMETHYL-5,6-DIHYDRO[1,3]DIOXOLO[4,5-G]QUINOLINE
ACT:ACETATE ION
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
4y4d[A][A][A]1.27
ACT:ACETATE ION
CFF:CAFFEINE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y4e[A][A][A]1.3
46R:5-METHYL-~{N}-[2,2,2-TRIS(FLUORANYL)ETHYL]-1,2-OXAZOLE-3-CARBOXAMIDE
ACT:ACETATE ION
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
4y4g[A][A][A]1.44
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GGB:L-CANAVANINE
GOL:GLYCEROL
4y4j[A][A][A]1.03
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
LNR:L-NOREPINEPHRINE
4y4t[A][A][A]1.3
46X:3-AMINO-5-(PYRROLIDIN-1-YL)-1H-PYRAZOLE-4-CARBONITRILE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
4y4u[A][A][A]1.75
46V:1-(4-BROMO-2-CHLOROPHENYL)-3-METHYLTHIOUREA
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
4y4w[A][A][A]1.45
46W:4-METHYLPIPERIDINE-1-CARBOXIMIDAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
SO4:SULFATE ION
4y4x[A][A][A]1.67
47Q:5-[(PYRIDIN-2-YLMETHYL)AMINO]-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y4z[A][A][A]1.48
47R:(1Z)-N,N-DIETHYLETHANIMIDAMIDE
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y50[A][A][A]1.32
47S:3-(DIMETHYLAMINO)BENZOHYDRAZIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
4y51[A][A][A]1.6
47A:2-AMINO-1-(4-BROMOPHENYL)ETHANONE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y53[A][A][A]1.62
47B:3-(3,4-DIFLUOROPHENYL)IMIDAZO[2,1-C][1,2,4]TRIAZINE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y54[A][A][A]1.61
47E:(2R)-(3-CHLOROPHENYL)(HYDROXY)ETHANOIC ACID
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y56[A][A][A]1.63
47J:1-(1,3-DIMETHYL-1H-PYRAZOL-5-YL)METHANAMINE
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y57[A][A][A]1.49
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
F63:N-METHYL-1-[5-(PYRIDIN-3-YLOXY)FURAN-2-YL]METHANAMINE
GOL:GLYCEROL
4y58[A][A][A]1.17
47L:N-[(2R)-TETRAHYDROFURAN-2-YLMETHYL]CYCLOHEXANECARBOXAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
PEG:DI(HYDROXYETHYL)ETHER
PG4:TETRAETHYLENE GLYCOL
4y5a[A][A][A]1.45
47M:1-[5-(TRIFLUOROMETHYL)FURAN-2-YL]METHANAMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y5b[A][A][A]1.24
47P:2-({[(1S)-1-CYCLOPROPYLETHYL](METHYL)AMINO}METHYL)QUINAZOLIN-4(3H)-ONE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y5c[A][A][A]1.19
47V:2,5-DIMETHYL-N-(PYRIDIN-4-YL)FURAN-3-CARBOXAMIDE
ACT:ACETATE ION
GOL:GLYCEROL
4y5e[A][A][A]1.12
47T:(2R)-N-(TRANS-4-METHYLCYCLOHEXYL)TETRAHYDROFURAN-2-CARBOXAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y5g[A][A][A]1.47
47U:N-(PYRIDIN-2-YL)-2-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)ACETAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y5k[A][A][A]1.44
489:(1S)-2-AMINO-1-(4-FLUOROPHENYL)ETHANOL
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y5l[A][A][A]0.99
ACT:ACETATE ION
GOL:GLYCEROL
NA:SODIUM ION
PEG:DI(HYDROXYETHYL)ETHER
PG4:TETRAETHYLENE GLYCOL
PGE:TRIETHYLENE GLYCOL
4y5m[A][A][A]1.28
47Y:3-[(4E)-4-IMINO-5,6-DIMETHYLFURO[2,3-D]PYRIMIDIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y5n[A][A][A]1.29
487:6-[(1S)-1-(AZEPAN-1-YL)ETHYL]-N,N-DIMETHYL-1,3,5-TRIAZINE-2,4-DIAMINE
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4y5p[A][A][A]1.23
483:2-(1H-IMIDAZOL-1-YL)-N-(TRANS-4-METHYLCYCLOHEXYL)ACETAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4y6m[A][A][A]2.27
48Q:~{N}1-[(~{Z},3~{R})-4-[2-(3-METHOXYPHENYL)PROPAN-2-YLAMINO]-3-OXIDANYL-1-PHENYL-BUT-1-EN-2-YL]-5-PIPERIDIN-1-YL-~{N}3,~{N}3-DIPROPYL-BENZENE-1,3-DICARBOXAMIDE
GOL:GLYCEROL
4y9w[A][a][A][a][A][a]0.83
IVA:ISOVALERIC ACID
STA:STATINE
4ya8[A][A][A]3.3
49W:N___sq___-[(2S,3S)-3-HYDROXY-1-PHENYL-4-{[2-(PYRIDIN-2-YL)PROPAN-2-YL]AMINO}BUTAN-2-YL]-N,N-DIPROPYL-5-(PYRIDIN-1(2H)-YL)BENZENE-1,3-DICARBOXAMIDE
GOL:GLYCEROL
4ybf[A][A][A]1.24
PEG:DI(HYDROXYETHYL)ETHER
4ybi[A][A][A]1.84
4B2:(4S)-4-[2,4-DIFLUORO-5-(PYRIMIDIN-5-YL)PHENYL]-4-METHYL-5,6-DIHYDRO-4H-1,3-THIAZIN-2-AMINE
GOL:GLYCEROL
4yck[A][A][A]1.07
78B:ETHYL 4-(AMINOMETHYL)BENZOATE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4yct[A][A][A]1.13
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
FBF:4-(TRIFLUOROMETHYL)BENZENECARBOXIMIDAMIDE
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
4ycy[A][A][A]1.7
4AO:2-(4-ETHOXY-8-METHYLQUINAZOLIN-2-YL)GUANIDINE
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
4yd3[A][A][A]1.25
1PE:PENTAETHYLENE GLYCOL
4AQ:2-(1H-INDOL-3-YL)-N-[(1-METHYL-1H-PYRROL-2-YL)METHYL]ETHANAMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
4yd4[A][A][A]1.27
4AY:4-(BROMOMETHYL)BENZOIC ACID
BR:BROMIDE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
4yd5[A][A][A]1.21
4AV:1-(2-CHLORO-5-NITROPHENYL)-N-METHYLMETHANAMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
4yd6[A][A][A]1.3
4AS:N-METHYL-1-(1-METHYL-1H-IMIDAZOL-2-YL)METHANAMINE
ACT:ACETATE ION
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
4yd7[A][A][A]1.42
ACT:ACETATE ION
F5N:2-(IMIDAZO[1,2-A]PYRIDIN-2-YL)-N-PHENYLACETAMIDE
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
PGE:TRIETHYLENE GLYCOL
4ydf[A2][A2][A2]2.8
4B1:N-BENZYL-N-[(3S,4S)-4-{BENZYL[(4-NITROPHENYL)SULFONYL]AMINO}PYRROLIDIN-3-YL]-3-NITROBENZENESULFONAMIDE
SO4:SULFATE ION
4ydg[A2][A2][A2]3.25
G3G:N,N___sq___-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE)
SO4:SULFATE ION
4ye3[A2][A2][A2]1.35
CL:CHLORIDE ION
G04:(3R,3AS,4R,6AR)-4-METHOXYHEXAHYDROFURO[2,3-B]FURAN-3-YL[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
GOL:GLYCEROL
Y1:YTTRIUM ION
4yhq[A2][A2][A2]1.3
CL:CHLORIDE ION
G10:(3R,3AS,6AS)-4,4-DIFLUOROHEXAHYDROFURO[2,3-B]FURAN-3-YL[(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
Y1:YTTRIUM ION
4yoa[A2][A2][A2]1.7
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
4yob[A2][A2][A2]1.5
4z22[A][A][A]2.62
4KG:2-AMINO-7-PHENYL-3-{[(2R,5S)-5-PHENYLTETRAHYDROFURAN-2-YL]METHYL}QUINAZOLIN-4(3H)-ONE
4z2z[A2][A2][A2]1.8
4z4x[A2][A2][A2]1.75
4z50[A2][A2][A2]1.45
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
4ze6[A][A][A]1.17
011:7-AMINOHEPTANOIC ACID
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
4zea[A][A][A]1.2
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
IMI:2-IMINOBIOTIN
4zip[A2][A2][A2]1.11
CL:CHLORIDE ION
G64:N-[(2,5-DIMETHYL-1,3-OXAZOL-4-YL)METHYL]-N___sq___-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]-N,5-DIMETHYLBENZENE-1,3-DICARBOXAMIDE
GOL:GLYCEROL
NA:SODIUM ION
4zls[A2][A2][A2]1.53
ACT:ACETATE ION
CL:CHLORIDE ION
G61:TERT-BUTYL [(2S,3R)-1-(3___sq___,5___sq___-DIMETHOXYBIPHENYL-3-YL)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}BUTAN-2-YL]CARBAMATE
NA:SODIUM ION
4zpe[A][A][A]1.7
4QA:4-(CYCLOHEXYLAMINO)-1-(3-FLUOROPHENYL)-8-[3-(PROPAN-2-YLOXY)BENZYL]-1,3,8-TRIAZASPIRO[4.5]DEC-3-EN-2-ONE
4zpf[A][A][A]1.8
4QD:8-(3-{[(2S)-1-AMINOPROPAN-2-YL]OXY}BENZYL)-4-(CYCLOHEXYLAMINO)-1-(3-FLUOROPHENYL)-1,3,8-TRIAZASPIRO[4.5]DEC-3-EN-2-ONE
4zpg[A][A][A]2
4QF:(5R,7S)-8-BENZYL-4-(CYCLOHEXYLAMINO)-1-(3-FLUOROPHENYL)-7-METHYL-1,3,8-TRIAZASPIRO[4.5]DEC-3-EN-2-ONE
4zsm[A][A][A]1.96
4RW:(4AS,8AR)-4A,5,6,7,8,8A-HEXAHYDRO-4H-3,1-BENZOTHIAZIN-2-AMINE
GOL:GLYCEROL
4zsp[A][A][A]1.91
4RZ:N-[(4AS,6S,8AR)-2-AMINO-4A,5,6,7,8,8A-HEXAHYDRO-4H-3,1-BENZOTHIAZIN-6-YL]-3-CHLOROBENZAMIDE
GOL:GLYCEROL
4zsq[A][A][A]2.3
4RX:N-[(4S,4AS,6S,8AR)-10-AMINOHEXAHYDRO-3H-4,8A-(EPITHIOMETHENOAZENO)ISOCHROMEN-6(1H)-YL]-3-CHLOROBENZAMIDE
GOL:GLYCEROL
4zsr[A][A][A]1.65
4RY:N-[(4AS,6S,8AR)-2-AMINO-5,6,7,8-TETRAHYDRO-4A,8A-(METHANOOXYMETHANO)-3,1-BENZOTHIAZIN-6(4H)-YL]-3-CHLOROBENZAMIDE
5agz[A2][A2][A2]1.2
CL:CHLORIDE ION
QHA:(3R,3AS,4R,6AR)-4-[(2-FLUOROPROP-2-EN-1-YL)OXY]HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-3-HYDROXY-4-[{[2-(METHYLAMINO)-1,3-BENZOXAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-PHENYLBUTAN-2-YL}CARBAMATE
5ah6[A2][A2][A2]1.5
C7U:(3R,3AS,4R,6AS)-4-CHLOROHEXAHYDROFURO[2,3-B]FURAN-3-YL{(2S,3R)-3-HYDROXY-4-[{[2-(METHYLAMINO)-1,3-BENZOXAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-PHENYLBUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
5ah7[A2][A2][A2]1.55
C7J:(3R,3AS,4R,6AS)-4-CHLOROHEXAHYDROFURO[2,3-B]FURAN-3-YL[(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
5ah8[A2][A2][A2]1.26
C7W:(3R,3AS,4R,6AR)-4-(3,3,3-TRIFLUOROPROPOXY)HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-3-HYDROXY-4-[{[2-(METHYLAMINO)-1,3-BENZOXAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-PHENYLBUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
5ah9[A2][A2][A2]1.44
C7L:(3R,3AS,4R,6AR)-4-(2-METHOXYETHOXY)HEXAHYDROFURO[2,3-B]FURAN-3-YL [(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
5aha[A2][A2][A2]1.35
CL:CHLORIDE ION
ZLP:(3R,3AS,4R,6AR)-4-(2-METHOXYETHOXY)HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-3-HYDROXY-4-[{[(2Z)-2-(METHYLIMINO)-2,3-DIHYDRO-1,3-BENZOXAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-PHENYLBUTAN-2-YL}CARBAMATE
5ahb[A2][A2][A2]1.5
CL:CHLORIDE ION
J5L:(3R,3AS,4R,6AR)-4-[2-(METHYLAMINO)-2-OXOETHOXY]HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-3-HYDROXY-4-[{[(2Z)-2-(METHYLIMINO)-2,3-DIHYDRO-1,3-BENZOXAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-PHENYLBUTAN-2-YL}CARBAMATE
5ahc[A2][A2][A2]1.5
CL:CHLORIDE ION
VXL:(3R,3AS,4R,6AR)-4-[2-(METHYLAMINO)-2-OXOETHOXY]HEXAHYDROFURO[2,3-B]FURAN-3-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
5apr[A][a][A][a][A][a]2.1
CA:CALCIUM ION
DHL:2-AMINO-ETHANETHIOL
STA:STATINE
5b18[A2][A2][A2]1.8
ACT:ACETATE ION
CL:CHLORIDE ION
5bry[A2][A2][A2]1.34
4UY:(3R,3AS,4R,6AR)-4-(METHYLAMINO)HEXAHYDROFURO[2,3-B]FURAN-3-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
5bs4[A2][A2][A2]1.29
4UX:(3R,3AS,4R,6AR)-4-(METHYLAMINO)HEXAHYDROFURO[2,3-B]FURAN-3-YL [(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
5bwy[A][A][A]2.64
5c9b[A4][A4][A4]2.4
MSE:SELENOMETHIONINE
5c9d[A2][A2][A2]2.59
NA:SODIUM ION
5c9f[A4][A4][A4]2
CL:CHLORIDE ION
NA:SODIUM ION
5clm[A][A][A]2.61
52K:N-{3-[(3R)-5-AMINO-3-METHYL-3,6-DIHYDRO-2H-1,4-OXAZIN-3-YL]PHENYL}-5-CHLOROPYRIDINE-2-CARBOXAMIDE
CL:CHLORIDE ION
IOD:IODIDE ION
5cok[A2][A2][A2]1.8
52U:(3AS,4S,7AR)-HEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
5con[A2][A2][A2]1.8
52W:(3R,3AS,4S,7AS)-3-HYDROXYHEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
5coo[A2][A2][A2]1.8
52Z:(3R,3AS,4S,7AS)-3-HYDROXYHEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-1-(4-METHOXYPHENYL)-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}BUTAN-2-YL]CARBAMATE
5cop[A2][A2][A2]2
53F:(3R,3AS,4S,7AS)-3-HYDROXYHEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-(4-METHOXYPHENYL)BUTAN-2-YL]CARBAMATE
5dgu[A2][A2][A2]1.22
5B7:(3R,3AR,4S,7AS)-3-METHOXYHEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
5dgw[A2][A2][A2]1.62
5B5:(3R,3AS,4S,7AS)-3-(ETHYLAMINO)HEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
5dpz[A][A][A]1.33
1PE:PENTAETHYLENE GLYCOL
51V:2-METHYLANILINE
ACT:ACETATE ION
GOL:GLYCEROL
PEG:DI(HYDROXYETHYL)ETHER
5dq1[A][A][A]1.49
5HL:3-[(CYCLOPROPYLAMINO)METHYL]-8-ETHYLQUINOLIN-2(1H)-ONE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5dq2[A][A][A]1.51
5HO:N-(5-CHLOROPYRIDIN-2-YL)-2-OXO-2-(PYRROLIDIN-1-YL)ACETAMIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5dq4[A][A][A]1.15
5HQ:1-[6-(FURAN-2-YL)PYRIDIN-3-YL]METHANAMINE
GOL:GLYCEROL
5dq5[A][A][A]1.47
5HS:3-[2-(4-METHYL-1,2-OXAZOL-3-YL)ETHYL]PYRIDINE
ACT:ACETATE ION
GOL:GLYCEROL
5dqc[A][A][A]2.47
5E7:N-[(2S,3R)-3-HYDROXY-4-({(2S,3S)-3-HYDROXY-1-[(2-METHYLPROPYL)AMINO]-1-OXOBUTAN-2-YL}AMINO)-1-PHENYLBUTAN-2-YL]-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE
5dr0[A][A][A]1.4
5GC:5-(METHYLSULFANYL)-4-(PROPAN-2-YLSULFONYL)-1H-PYRAZOL-3-AMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5dr1[A][A][A]1.45
5GJ:[(3R)-3-HYDROXYPIPERIDIN-1-YL](1-PHENYLCYCLOPROPYL)METHANONE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5dr3[A][A][A]1.24
5GL:4-PROPAN-2-YLSULFANYL-1-PROPYL-6,7-DIHYDRO-5~{H}-CYCLOPENTA[D]PYRIMIDIN-2-ONE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5dr4[A][A][A]1.5
5GQ:7-METHYL-3,4-DIHYDRO-2~{H}-PYRIDO[1,2-A]PYRIMIDIN-3-OL
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
5dr7[A][A][A]1.23
5HJ:(2R)-3-CYCLOPROPYL-2-(4-METHOXYPHENYL)-1,3-THIAZOLIDIN-4-ONE
ACT:ACETATE ION
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
5dr8[A][A][A]1.47
5G1:2-CHLOROBENZOHYDRAZIDE
ACT:ACETATE ION
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
5e5j[A2][A2][A2]1.85
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
5e5k[A2][A2][A2]1.75
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
5enk[A][A][A]2.11
5QV:(4~{S},6~{S})-4-[2,4-BIS(FLUORANYL)-5-PYRIMIDIN-5-YL-PHENYL]-6-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-4-METHYL-5,6-DIHYDRO-1,3-THIAZIN-2-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
5enm[A][A][A]1.98
5QU:(2~{R},4~{S},6~{S})-4-[2,4-BIS(FLUORANYL)-5-PYRIMIDIN-5-YL-PHENYL]-6-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-1,3-THIAZINAN-2-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
5er1[A][A][A]2
0HT:METHYL N-[(2S,3S)-3-AMINO-2-HYDROXY-5-METHYLHEXYL]-L-VALYL-L-ISOLEUCYL-L-PHENYLALANINATE
5er2[A][A][A]1.8
0EK:6-AMMONIO-N-{[(2R,3R)-3-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL-3-(1H-IMIDAZOL-3-IUM-4-YL)-L-ALANYL]AMINO}-4-CYCLOHEXYL-2-HYDROXYBUTYL](2-METHYLPROPYL)CARBAMOYL}-L-NORLEUCYL-L-PHENYLALANINE
5ezx[A][A][A]1.9
5T5:[(1~{R},2~{R})-2-[(4~{S})-2-AZANYL-4-[4-[BIS(FLUORANYL)METHOXY]PHENYL]-5~{H}-1,3-OXAZOL-4-YL]CYCLOPROPYL]-(5-CHLORANYLPYRIDIN-3-YL)METHANONE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
5ezz[A][A][A]2.1
5T6:(4~{S})-4-[4-[BIS(FLUORANYL)METHOXY]-3-METHYL-PHENYL]-4-[3-(5-CHLORANYLPYRIDIN-3-YL)PHENYL]-5~{H}-1,3-OXAZOL-2-AMINE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
5f00[A][A][A]1.95
5T8:(5~{R})-5-[3-[(3-CHLORANYLQUINOLIN-8-YL)AMINO]PHENYL]-5-METHYL-2,6-DIHYDRO-1,4-OXAZIN-3-AMINE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
5f01[A][A][A]1.52
5T7:(1~{R},2~{R})-2-[(4~{R})-2-AZANYL-5,5-BIS(FLUORANYL)-4-METHYL-6~{H}-1,3-OXAZIN-4-YL]-~{N}-(3-CHLORANYLQUINOLIN-8-YL)CYCLOPROPANE-1-CARBOXAMIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
NA:SODIUM ION
5fiv[A2][A2][A2]1.9
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
5hco[A][A][A]1.17
601:4-(DIMETHYLAMINO)BENZOHYDRAZIDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
5hct[A][A][A]1.36
61P:2-AMINO-N___sq___-{3-[(E)-{2-[(2S)-2-AMINO-3-(1H-INDOL-3-YL)PROPANOYL]HYDRAZINYLIDENE}METHYL]BENZYLIDENE}-3-(1H-INDOL-2-YL)PROPANEHYDRAZIDE (NON-PREFERRED NAME)
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
5hd0[A][A][A]1.65
60Y:3-{5-[(2E,4AR,7AR)-6-(5-FLUOROPYRIMIDIN-2-YL)-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE
TLA:L(+)-TARTARIC ACID
5hdu[A][A][A]1.58
60W:3-{5-[(2E,4AR,7AR)-6-(5-FLUORO-4-METHOXYPYRIMIDIN-2-YL)-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHEN-3-YL}BENZONITRILE
TLA:L(+)-TARTARIC ACID
5hdv[A][A][A]1.71
60V:5-[(2E,4AR,7AR)-6-(5-FLUORO-4-METHOXY-6-METHYLPYRIMIDIN-2-YL)-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHENE-2-CARBONITRILE
TLA:L(+)-TARTARIC ACID
5hdx[A][A][A]1.6
60U:5-[(2E,4AR,7AR)-6-(4-ETHOXY-5-FLUORO-6-METHYLPYRIMIDIN-2-YL)-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL]THIOPHENE-2-CARBONITRILE
5hdz[A][A][A]1.49
954:5-{(2E,4AR,7AR)-6-[5-FLUORO-4-METHYL-6-(METHYLSULFANYL)PYRIMIDIN-2-YL]-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL}THIOPHENE-2-CARBONITRILE
5he4[A][A][A]1.53
60T:(2E,4AR,7AS)-7A-(2,6-DIFLUOROPHENYL)-6-(5-FLUORO-4-METHOXY-6-METHYLPYRIMIDIN-2-YL)-2-IMINO-3-METHYLOCTAHYDRO-4H-PYRROLO[3,4-D]PYRIMIDIN-4-ONE
TLA:L(+)-TARTARIC ACID
5he5[A][A][A]1.55
60S:5-{(2E,4AR,7AR)-6-[5-FLUORO-4-METHYL-6-(METHYLAMINO)PYRIMIDIN-2-YL]-2-IMINO-3-METHYL-4-OXOOCTAHYDRO-7AH-PYRROLO[3,4-D]PYRIMIDIN-7A-YL}THIOPHENE-2-CARBONITRILE
TLA:L(+)-TARTARIC ACID
5he7[A][A][A]1.71
60X:(2E,4AR,7AS)-7A-(2,4-DIFLUOROPHENYL)-6-(5-FLUORO-4-METHOXY-6-METHYLPYRIMIDIN-2-YL)-2-IMINO-3-METHYLOCTAHYDRO-4H-PYRROLO[3,4-D]PYRIMIDIN-4-ONE
5htz[A][A][A]1.95
66J:(3E,5S)-5-{3-CHLORO-5-[5-(PROP-1-YN-1-YL)PYRIDIN-3-YL]THIOPHEN-2-YL}-2,5-DIMETHYL-1,2,4-THIADIAZINAN-3-IMINE 1,1-DIOXIDE
5hu0[A][A][A]1.83
66H:N-{3-[(2E,4R)-2-IMINO-1-METHYL-5-OXO-4-PHENYLIMIDAZOLIDIN-4-YL]PHENYL}FURAN-2-CARBOXAMIDE
TLA:L(+)-TARTARIC ACID
5hu1[A][A][A]1.5
66F:N-{3-[(5R)-3-AMINO-2,5-DIMETHYL-1,1-DIOXIDO-5,6-DIHYDRO-2H-1,2,4-THIADIAZIN-5-YL]-4-FLUOROPHENYL}-5-FLUOROPYRIDINE-2-CARBOXAMIDE
5hvp[A2][a][A2][a][A2][a]2
ACE:ACETYL GROUP
CL:CHLORIDE ION
STA:STATINE
5i3v[A][A][A]1.62
68M:(2R)-3-[2-AMINO-6-(3-METHYLPYRIDIN-2-YL)QUINOLIN-3-YL]-N-(3,3-DIMETHYLBUTYL)-2-METHYLPROPANAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
5i3w[A][A][A]2.15
68L:N-[(5S)-2___sq___-AMINO-3-(5,6-DIHYDRO-2H-PYRAN-3-YL)-5___sq___H-SPIRO[1-BENZOPYRANO[2,3-C]PYRIDINE-5,4___sq___-[1,3]OXAZOL]-7-YL]-5-CHLOROPYRIDINE-2-CARBOXAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
SO4:SULFATE ION
5i3x[A][A][A]1.85
68J:N-(1-{3-[2-(2-AMINO-3-{3-[(3,3-DIMETHYLBUTYL)AMINO]-3-OXOPROPYL}QUINOLIN-6-YL)PHENYL]PROP-2-YN-1-YL}CYCLOPROPYL)-4-FLUOROBENZAMIDE
GOL:GLYCEROL
5i3y[A][A][A]2.15
68K:N-(6-{2-[2-(2-AMINO-3-{3-[(3,3-DIMETHYLBUTYL)AMINO]-3-OXOPROPYL}QUINOLIN-6-YL)PHENYL]ETHYL}PYRIDIN-3-YL)-4-FLUOROBENZAMIDE
5i70[A][a][A][a][A][a]3
IVA:ISOVALERIC ACID
STA:STATINE
5ie1[A][A][A]2.3
6BS:3-[2-AMINO-6-(2-METHYLPHENYL)QUINOLIN-3-YL]-N-(3,3-DIMETHYLBUTYL)PROPANAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
5is4[A][A][A]1.37
6LY:(1S)-2-AMINO-1-(4-BROMOPHENYL)ETHAN-1-OL
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
5isj[A][A][A]1.65
6LE:(1S)-2-AMINO-1-(4-CHLOROPHENYL)ETHAN-1-OL
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
5isk[A][A][A]1.14
6LZ:2-AMINO-1-(4-FLUOROPHENYL)ETHAN-1-ONE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PG4:TETRAETHYLENE GLYCOL
PGE:TRIETHYLENE GLYCOL
5ivq[A2][A2][A2]1.57
6EH:NALPHA-(METHOXYCARBONYL)-N-{3-[(2R)-MORPHOLIN-2-YL]PROPYL}-BETA-PHENYL-L-PHENYLALANINAMIDE
CL:CHLORIDE ION
5ivr[A2][A2][A2]1.5
6EG:N-{2-[(3S)-3-{[(4-AMINOPHENYL)METHYL]AMINO}-4-HYDROXYBUTYL]PHENYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
CL:CHLORIDE ION
5ivs[A2][A2][A2]1.46
6EF:N-(2-{2-[(2R,5S)-5-{[(BENZYLCARBAMOYL)OXY]METHYL}MORPHOLIN-2-YL]ETHYL}PHENYL)-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE
CL:CHLORIDE ION
5ivt[A2][A2][A2]1.15
6EE:(BETAS)-4-CHLORO-BETA-(3,5-DIFLUOROPHENYL)-N-(5-FLUORO-4-{2-[(2R,5S)-5-({[(2,2,2-TRIFLUOROETHYL)CARBAMOYL]OXY}METHYL)MORPHOLIN-2-YL]ETHYL}PYRIDIN-3-YL)-L-PHENYLALANINAMIDE
ACT:ACETATE ION
CL:CHLORIDE ION
5j25[A][A][A]1.24
47K:2-(4-METHYLPIPERIDIN-1-YL)-N-[3-(PROPAN-2-YL)-1,2-OXAZOL-5-YL]ACETAMIDE
ACT:ACETATE ION
GOL:GLYCEROL
5jfp[A2][A2][A2]1.49
6KK:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-[(3R,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DECAN-1-YL]BUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
5jfu[A2][A2][A2]1.7
6KQ:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-4-{BENZYL[(4-METHOXYPHENYL)SULFONYL]AMINO}-3-HYDROXY-1-[(3R,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DECAN-1-YL]BUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
5jg1[A2][A2][A2]1.16
6KR:(3R,3AS,7AR)-HEXAHYDRO-4H-FURO[2,3-B]PYRAN-3-YL {(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-[(3R,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DECAN-1-YL]BUTAN-2-YL}CARBAMATE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
5jod[A2][A2][A2]1.53
GOL:GLYCEROL
5kao[A2][A2][A2]1.8
G43:[(3~{A}~{S},4~{R},6~{A}~{R})-2,3,3~{A},4,5,6~{A}-HEXAHYDROFURO[2,3-B]FURAN-4-YL] ~{N}-[(2~{S},3~{R})-1-(3-CHLORANYL-4-METHOXY-PHENYL)-4-[(4-METHOXYPHENYL)SULFONYL-(2-METHYLPROPYL)AMINO]-3-OXIDANYL-BUTAN-2-YL]CARBAMATE
5koq[A][A][A]2.7
6VR:2-~{TERT}-BUTYL-4-(FURAN-2-YLMETHYLAMINO)-~{N}-(2-METHYLPROPYL)-~{N}-[(3~{S})-PIPERIDIN-3-YL]PYRIMIDINE-5-CARBOXAMIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
5kos[A][A][A]2.41
6VS:2-~{TERT}-BUTYL-4-(3-METHOXYPROPYLAMINO)-~{N}-(2-METHYLPROPYL)-~{N}-[(3~{S},5~{R})-5-MORPHOLIN-4-YLCARBONYLPIPERIDIN-3-YL]PYRIMIDINE-5-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
5kot[A][A][A]2.1
6VU:1-(4-METHOXYBUTYL)-~{N}-(2-METHYLPROPYL)-~{N}-[(3~{S},5~{R})-5-MORPHOLIN-4-YLCARBONYLPIPERIDIN-3-YL]BENZIMIDAZOLE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
5kqf[A][A][A]1.98
6WD:(4~{S},6~{S})-4-[2,4-BIS(FLUORANYL)PHENYL]-4-METHYL-6-PYRIMIDIN-5-YL-5,6-DIHYDRO-1,3-THIAZIN-2-AMINE
5kqx[A2][A2][A2]2.4
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
5kqy[A2][A2][A2]1.65
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
5kqz[A2][A2][A2]1.7
0Q4:N-[(2R)-2-({N~5~-[AMINO(IMINIO)METHYL]-L-ORNITHYL-L-VALYL}AMINO)-4-METHYLPENTYL]-L-PHENYLALANYL-L-ALPHA-GLUTAMYL-L-ALANYL-L-NORLEUCINAMIDE
5kr0[A2][A2][A2]1.8
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
GOL:GLYCEROL
5kr1[A2][A2][A2]1.6
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
5kr2[A4][A4][A4]1.78
ROC:(2S)-N-[(2S,3R)-4-[(2S,3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-ISOQUINOLIN-2-YL]-3-HYDROXY-1-PHENYL-BUTAN-2-YL]-2-(QUINOLIN-2-YLCARBONYLAMINO)BUTANEDIAMIDE
5kr8[A][A][A]2.12
6WE:(4~{S},6~{S})-4-[2,4-BIS(FLUORANYL)PHENYL]-6-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-4-METHYL-5,6-DIHYDRO-1,3-THIAZIN-2-AMINE
IOD:IODIDE ION
5lwr[A][A][A]1.25
7B2:4-[12-[(1-CHLORANYL-5,6,7-TRIMETHYL-PYRROLO[3,4-D]PYRIDAZIN-3-IUM-3-YL)METHYL]-10,11-DIMETHYL-3,4,6,7,11-PENTAZATRICYCLO[7.3.0.0^{2,6}]DODECA-1(12),2,4,7,9-PENTAEN-5-YL]-1,2,5-TRIMETHYL-PYRROLE-3-CARBALDEHYDE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5lws[A][A][A]1.03
7B2:4-[12-[(1-CHLORANYL-5,6,7-TRIMETHYL-PYRROLO[3,4-D]PYRIDAZIN-3-IUM-3-YL)METHYL]-10,11-DIMETHYL-3,4,6,7,11-PENTAZATRICYCLO[7.3.0.0^{2,6}]DODECA-1(12),2,4,7,9-PENTAEN-5-YL]-1,2,5-TRIMETHYL-PYRROLE-3-CARBALDEHYDE
7B4:4-CHLORANYL-5,6,7-TRIMETHYL-PYRROLO[3,4-D]PYRIDAZINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
TFA:TRIFLUOROACETIC ACID
5lwt[A][A][A]1.07
7B3:4-METHOXY-5,6,7-TRIMETHYL-PYRROLO[3,4-D]PYRIDAZINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
TFA:TRIFLUOROACETIC ACID
5lwu[A][A][A]1.11
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
TFA:TRIFLUOROACETIC ACID
5mb0[A][A][A]1.15
47V:2,5-DIMETHYL-N-(PYRIDIN-4-YL)FURAN-3-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
F63:N-METHYL-1-[5-(PYRIDIN-3-YLOXY)FURAN-2-YL]METHANAMINE
F91:N-(PYRIDIN-4-YLMETHYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-6-AMINE
GOL:GLYCEROL
5mb3[A][A][A]1.05
5GL:4-PROPAN-2-YLSULFANYL-1-PROPYL-6,7-DIHYDRO-5~{H}-CYCLOPENTA[D]PYRIMIDIN-2-ONE
ACT:ACETATE ION
GOL:GLYCEROL
5mb5[A][A][A]0.98
46P:4-METHYL-5-(1-METHYL-1H-IMIDAZOL-2-YL)-1,3-THIAZOL-2-AMINE
ACT:ACETATE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
5mb6[A][A][A]1.2
GOL:GLYCEROL
SO4:SULFATE ION
5mb7[A][A][A]1.3
4AV:1-(2-CHLORO-5-NITROPHENYL)-N-METHYLMETHANAMINE
GOL:GLYCEROL
5mbw[A][a][A][a][A][a]2.95
CL:CHLORIDE ION
DPR:D-PROLINE
STA:STATINE
5mco[A][a][A][a][A][a]2.49
ACE:ACETYL GROUP
BSD:N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-[METHYL(METHYLSULFONYL)AMINO]-N___sq___-[(1R)-1-PHENYLETHYL]BENZENE-1,3-DICARBOXAMIDE
5mcq[A][a][A][a][A][a]1.82
DLY:D-LYSINE
DPR:D-PROLINE
EDO:1,2-ETHANEDIOL
NH2:AMINO GROUP
STA:STATINE
5mkt[A][A][A]3.2
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
5mlg[A][A][A]2.6
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
5mxd[A][A][A]2.52
CL:CHLORIDE ION
III:~{N},~{N}-DIMETHYL-2-PYRROLIDIN-1-YL-QUINAZOLIN-4-AMINE
5n70[A][A][A]1.81
5n71[A][A][A]1.88
PEG:DI(HYDROXYETHYL)ETHER
SO4:SULFATE ION
5n7n[A][A][A]2.3
NH4:AMMONIUM ION
SO4:SULFATE ION
5n7q[A][a][A][a][A][a]1.45
GOL:GLYCEROL
IVA:ISOVALERIC ACID
PEG:DI(HYDROXYETHYL)ETHER
STA:STATINE
5nfg[A][A][A]2.38
BMA:BETA-D-MANNOPYRANOSE
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
5og7[A][A][A]1.82
DMS:DIMETHYL SULFOXIDE
FLK:3-CHLORANYL-~{N}___sq___-(4,5-DIHYDRO-1~{H}-IMIDAZOL-3-IUM-2-YL)PROPANEHYDRAZIDE
5oje[A][A][A]1.58
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
PGE:TRIETHYLENE GLYCOL
SO4:SULFATE ION
VSK:(2~{S})-2-AZANYL-3-(1~{H}-INDOL-3-YL)-~{N}-[2-(2,4,6-TRIMETHYLPHENYL)ETHYL]PROPANAMIDE
5oyq[A][A][A]1.49
5oyr[A][A][A]1.49
5oys[A][A][A]1.65
5oyt[A][A][A]1.59
5oyu[A][A][A]1.25
5oyv[A][A][A]1.44
5oyw[A][A][A]1.48
5oyx[A][A][A]1.65
5oyy[A][A][A]1.45
5oyz[A][A][A]1.49
5oz0[A][A][A]1.45
5oz1[A][A][A]1.48
5oz2[A][A][A]1.61
5oz3[A][A][A]1.75
5oz4[A][A][A]1.48
5oz5[A][A][A]1.49
5oz6[A][A][A]1.55
5oz7[A][A][A]1.61
5oz8[A][A][A]1.56
5oz9[A][A][A]1.61
5oza[A][A][A]1.49
5ozb[A][A][A]1.49
5ozc[A][A][A]1.71
5ozd[A][A][A]1.37
5oze[A][A][A]1.24
5ozf[A][A][A]1.53
5ozg[A][A][A]1.49
5ozh[A][A][A]1.49
5ozi[A][A][A]1.5
5ozj[A][A][A]1.49
5ozk[A][A][A]1.33
5ozl[A][A][A]1.74
5ozm[A][A][A]1.49
5ozn[A][A][A]1.49
5ozo[A][A][A]1.58
5ozp[A][A][A]1.49
5ozq[A][A][A]1.5
5ozr[A][A][A]1.77
5ozs[A][A][A]1.72
5ozt[A][A][A]1.8
5ozu[A][A][A]1.12
5ozv[A][A][A]1.48
5ozw[A][A][A]1.54
5ozx[A][A][A]1.48
5ozy[A][A][A]1.49
5ozz[A][A][A]1.53
5p00[A][A][A]1.51
5p01[A][A][A]1.51
5p02[A][A][A]1.49
5p03[A][A][A]1.49
5p04[A][A][A]1.67
5p05[A][A][A]1.6
5p06[A][A][A]1.32
5p07[A][A][A]1.62
5p08[A][A][A]1.61
5p09[A][A][A]1.61
5p0a[A][A][A]1.82
5p0b[A][A][A]1.63
5p0c[A][A][A]1.82
5p0d[A][A][A]1.85
5p0e[A][A][A]1.8
5p0f[A][A][A]1.25
5p0g[A][A][A]1.49
5p0h[A][A][A]1.8
5p0i[A][A][A]1.15
5p0j[A][A][A]1.15
5p0k[A][A][A]1.6
5p0l[A][A][A]1.51
5p0m[A][A][A]1.12
5p0n[A][A][A]1.14
5p0o[A][A][A]1.33
5p0p[A][A][A]1.3
5p0q[A][A][A]1.48
5p0r[A][A][A]1.25
5p0s[A][A][A]1.2
5p0t[A][A][A]1.13
5p0u[A][A][A]1.46
5p0v[A][A][A]1.4
5p0w[A][A][A]1.27
5p0x[A][A][A]1.27
5p0y[A][A][A]1.32
5p0z[A][A][A]1.26
5p10[A][A][A]1.49
5p11[A][A][A]1.38
5p12[A][A][A]1.55
5p13[A][A][A]1.4
5p14[A][A][A]1.24
5p15[A][A][A]1.41
5p16[A][A][A]1.64
5p17[A][A][A]1.4
5p18[A][A][A]1.35
5p19[A][A][A]1.13
5p1a[A][A][A]1.4
5p1b[A][A][A]1.38
5p1c[A][A][A]1.35
5p1d[A][A][A]1.28
5p1e[A][A][A]1.59
5p1f[A][A][A]1.26
5p1g[A][A][A]1.48
5p1h[A][A][A]1.53
5p1i[A][A][A]1.34
5p1j[A][A][A]1.37
5p1k[A][A][A]1.55
5p1l[A][A][A]1.25
5p1m[A][A][A]1.6
5p1n[A][A][A]1.52
5p1o[A][A][A]1.52
5p1p[A][A][A]1.32
5p1q[A][A][A]1.17
5p1r[A][A][A]1.33
5p1s[A][A][A]1.32
5p1t[A][A][A]1.4
5p1u[A][A][A]1.5
5p1v[A][A][A]1.3
5p1w[A][A][A]1.23
5p1x[A][A][A]1.2
5p1y[A][A][A]1.52
5p1z[A][A][A]1.46
5p20[A][A][A]1.44
5p22[A][A][A]1.31
5p23[A][A][A]1.71
5p24[A][A][A]1.71
5p25[A][A][A]1.26
5p26[A][A][A]1.41
5p27[A][A][A]1.45
5p28[A][A][A]1.35
5p29[A][A][A]1.48
5p2a[A][A][A]1.37
5p2b[A][A][A]1.7
5p2c[A][A][A]1.75
5p2d[A][A][A]1.3
5p2e[A][A][A]1.53
5p2f[A][A][A]1.8
5p2g[A][A][A]1.49
5p2h[A][A][A]1.62
5p2i[A][A][A]1.43
5p2j[A][A][A]1.56
5p2k[A][A][A]1.82
5p2l[A][A][A]1.12
5p2m[A][A][A]1.09
5p2n[A][A][A]1.55
5p2o[A][A][A]1.12
5p2q[A][A][A]1.35
5p2r[A][A][A]1.17
5p2s[A][A][A]1.08
5p2t[A][A][A]1.1
5p2u[A][A][A]1.38
5p2v[A][A][A]1.32
5p2w[A][A][A]1.52
5p2x[A][A][A]1.4
5p2y[A][A][A]1.64
5p2z[A][A][A]1.52
5p30[A][A][A]1.85
5p31[A][A][A]1.25
5p32[A][A][A]1.12
5p33[A][A][A]1.26
5p34[A][A][A]1.21
5p35[A][A][A]1.24
5p36[A][A][A]1.37
5p37[A][A][A]1.42
5p38[A][A][A]1.29
5p39[A][A][A]1.19
5p3a[A][A][A]1.18
5p3b[A][A][A]1.24
5p3c[A][A][A]1.27
5p3d[A][A][A]1.18
5p3e[A][A][A]1.17
5p3f[A][A][A]1.26
5p3g[A][A][A]1.39
5p3h[A][A][A]1.39
5p3i[A][A][A]1.25
5p3j[A][A][A]1.34
5p3k[A][A][A]1.75
5p3l[A][A][A]1.25
5p3m[A][A][A]1.19
5p3n[A][A][A]1.44
5p3o[A][A][A]1.25
5p3p[A][A][A]1.46
5p3q[A][A][A]1.09
5p3r[A][A][A]1.37
5p3s[A][A][A]1.17
5p3t[A][A][A]1.19
5p3u[A][A][A]1.2
5p3v[A][A][A]1.47
5p3w[A][A][A]1.24
5p3x[A][A][A]1.42
5p3y[A][A][A]1.22
5p3z[A][A][A]1.2
5p40[A][A][A]1.23
5p41[A][A][A]1.28
5p42[A][A][A]1.18
5p43[A][A][A]1.19
5p44[A][A][A]1.18
5p45[A][A][A]1.19
5p46[A][A][A]1.18
5p47[A][A][A]1.18
5p48[A][A][A]1.17
5p49[A][A][A]1.26
5p4a[A][A][A]1.35
5p4b[A][A][A]1.2
5p4c[A][A][A]1.26
5p4d[A][A][A]1.25
5p4e[A][A][A]1.4
5p4f[A][A][A]1.41
5p4g[A][A][A]1.16
5p4h[A][A][A]1.45
5p4i[A][A][A]1.42
5p4j[A][A][A]1.52
5p4k[A][A][A]1.47
5p4l[A][A][A]1.08
5p4m[A][A][A]1.07
5p4n[A][A][A]1.25
5p4o[A][A][A]1.06
5p4p[A][A][A]1.57
5p4q[A][A][A]1.59
5p4r[A][A][A]1.13
5p4s[A][A][A]1.31
5p4t[A][A][A]1.7
5p4u[A][A][A]1.32
5p4v[A][A][A]1.33
5p4w[A][A][A]1.15
5p4x[A][A][A]1.58
5p4y[A][A][A]1.41
5p4z[A][A][A]1.25
5p50[A][A][A]1.12
5p51[A][A][A]1.12
5p52[A][A][A]1.27
5p53[A][A][A]1.12
5p54[A][A][A]1.09
5p55[A][A][A]1.3
5p56[A][A][A]1.5
5p57[A][A][A]1.42
5p58[A][A][A]1.12
5p59[A][A][A]1.18
5p5a[A][A][A]1.27
5p5b[A][A][A]1.21
5p5c[A][A][A]1.34
5p5d[A][A][A]1.58
5p5e[A][A][A]1.27
5p5f[A][A][A]1.3
5p5g[A][A][A]1.66
5p5h[A][A][A]1.09
5p5i[A][A][A]1.18
5p5j[A][A][A]1.17
5p5k[A][A][A]1.26
5p5l[A][A][A]1.73
5p5m[A][A][A]1.18
5p5n[A][A][A]1.69
5p5o[A][A][A]1.2
5p5p[A][A][A]1.09
5p5q[A][A][A]1.28
5p5r[A][A][A]1.31
5p5s[A][A][A]1.14
5p5t[A][A][A]1.18
5p5u[A][A][A]1.42
5p5v[A][A][A]1.06
5p5w[A][A][A]1.3
5p5x[A][A][A]1.07
5p5y[A][A][A]1.14
5p5z[A][A][A]1.17
5p60[A][A][A]1.24
5p61[A][A][A]1.09
5p62[A][A][A]1.28
5p63[A][A][A]1.2
5p64[A][A][A]1.07
5p65[A][A][A]1.1
5p66[A][A][A]1.19
5p67[A][A][A]1.12
5p68[A][A][A]1.25
5p69[A][A][A]1.44
5p6a[A][A][A]1.16
5p6b[A][A][A]1.47
5p6c[A][A][A]1.34
5p6d[A][A][A]1.44
5p6e[A][A][A]1.21
5p6f[A][A][A]1.13
5p6g[A][A][A]1.09
5p6h[A][A][A]1.45
5p6i[A][A][A]1.2
5p6j[A][A][A]1.26
5p6k[A][A][A]1.61
5p6l[A][A][A]1.05
5p6m[A][A][A]1.35
5p6n[A][A][A]1.11
5p6o[A][A][A]1.13
5p6p[A][A][A]1.28
5p6q[A][A][A]1.24
5p6r[A][A][A]1.27
5p6s[A][A][A]1.34
5p6t[A][A][A]1.46
5p6u[A][A][A]1.06
5p6v[A][A][A]1.28
5p6w[A][A][A]1.61
5p6x[A][A][A]1.4
5p6y[A][A][A]1.18
5p6z[A][A][A]1.28
5p70[A][A][A]1.02
5p71[A][A][A]1.03
5p72[A][A][A]1.05
5p73[A][A][A]1.02
5p74[A][A][A]1.04
5p75[A][A][A]1.43
5p76[A][A][A]1.04
5p77[A][A][A]1.03
5p78[A][A][A]1.69
5p79[A][A][A]1.13
5p7a[A][A][A]1.25
5p7b[A][A][A]1.41
5p7c[A][A][A]1.27
5p7d[A][A][A]1.17
5p7e[A][A][A]1.23
5p7f[A][A][A]1.08
5p7g[A][A][A]1.1
5p7h[A][A][A]1.19
5p7i[A][A][A]1.19
5p7j[A][A][A]1.31
5p7k[A][A][A]1.1
5p7l[A][A][A]1.17
5p7m[A][A][A]1.33
5p7n[A][A][A]1.65
5p7o[A][A][A]1.48
5p7p[A][A][A]1.44
5p7q[A][A][A]1.11
5p7r[A][A][A]1.48
5p7s[A][A][A]1.19
5p7t[A][A][A]1.46
5p7u[A][A][A]1.1
5p7v[A][A][A]1.28
5p7w[A][A][A]1.36
5p7x[A][A][A]1.47
5p7y[A][A][A]1.65
5p7z[A][A][A]1.26
5p80[A][A][A]1.24
5p81[A][A][A]1.6
5p82[A][A][A]1.22
5p83[A][A][A]1.52
5p84[A][A][A]1.29
5p85[A][A][A]1.23
5p86[A][A][A]1.33
5p87[A][A][A]1.35
5p88[A][A][A]1.22
5p89[A][A][A]1.27
5p8a[A][A][A]1.27
5p8b[A][A][A]1.55
5p8c[A][A][A]1.3
5p8d[A][A][A]1.18
5p8e[A][A][A]1.22
5p8f[A][A][A]1.27
5p8g[A][A][A]1.28
5p8h[A][A][A]1.24
5p8i[A][A][A]1.22
5p8j[A][A][A]1.33
5p8k[A][A][A]1.26
5p8l[A][A][A]1.24
5p8m[A][A][A]1.2
5p8n[A][A][A]1.49
5p8o[A][A][A]1.48
5p8p[A][A][A]1.22
5p8q[A][A][A]1.14
5p8r[A][A][A]1.07
5p8s[A][A][A]1.11
5p8t[A][A][A]1.03
5p8u[A][A][A]1.44
5p8v[A][A][A]1.58
5pep[A][A][A]2.34
5sxn[A][A][A]2.1
74U:N-[(FURAN-2-YL)METHYL]-2-PHENYLQUINAZOLIN-4-AMINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
5sy2[A][A][A]2.25
1PE:PENTAETHYLENE GLYCOL
74V:N-ETHYL-4-{[(FURAN-2-YL)METHYL]AMINO}-2-METHYL-N-[(3S)-PIPERIDIN-3-YL]PYRIMIDINE-5-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PGE:TRIETHYLENE GLYCOL
5sy3[A][A][A]2.3
1PE:PENTAETHYLENE GLYCOL
74Z:N-[(FURAN-2-YL)METHYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-AMINE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
5sz9[A][A][A]2.85
74Y:(AZEPAN-1-YL)(2-{[(FURAN-2-YL)METHYL]AMINO}-6-METHYLPYRIDIN-3-YL)METHANONE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
5t1u[A][A][A]1.78
EDO:1,2-ETHANEDIOL
IOD:IODIDE ION
P6U:(4S)-4-[2,4-DIFLUORO-5-({[1-(TRIFLUOROMETHYL)CYCLOPROPYL]AMINO}METHYL)PHENYL]-4-METHYL-5,6-DIHYDRO-4H-1,3-THIAZIN-2-AMINE
5t1w[A][A][A]2.96
74B:(4AR,6R,8AS)-8A-(2,4-DIFLUORO-5-{[(2,2,2-TRIFLUOROETHYL)AMINO]METHYL}PHENYL)-6-(FLUOROMETHYL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE
CL:CHLORIDE ION
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOD:IODIDE ION
NA:SODIUM ION
5t2e[A2][A2][A2]1.5
CL:CHLORIDE ION
5t2z[A2][A2][A2]1.5
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
5t4s[A][A][A]2.64
77O:6-CHLORO-N-[(FURAN-2-YL)METHYL]PYRAZIN-2-AMINE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PG6:1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
PGE:TRIETHYLENE GLYCOL
5t84[A2][A2][A2]1.65
5t8h[A2][A2][A2]1.85
478:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YLESTER
5tmg[A][A][A]2.2
7EK:5-(4-METHOXYBUTYL)-N-(2-METHYLPROPYL)-N-[(3S,5R)-5-(MORPHOLINE-4-CARBONYL)PIPERIDIN-3-YL]-1-PHENYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
PGE:TRIETHYLENE GLYCOL
5tmk[A][A][A]2.65
7EJ:1-(4-METHOXYBUTYL)-N-(2-METHYLPROPYL)-N-[(3S,5R)-5-(MORPHOLINE-4-CARBONYL)PIPERIDIN-3-YL]-5-PHENYL-1H-PYRROLE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
PEG:DI(HYDROXYETHYL)ETHER
5tol[A][A][A]2.51
7H3:N-{3-[(4AR,7AR)-2-AMINO-4,4A,5,6-TETRAHYDRO-7AH-FURO[2,3-D][1,3]THIAZIN-7A-YL]-4-FLUOROPHENYL}-5-BROMOPYRIDINE-2-CARBOXAMIDE
5tyr[A2][A2][A2]1.8
7O7:(3S,3AR,5R,7AS,8S)-HEXAHYDRO-4H-3,5-METHANOFURO[2,3-B]PYRAN-8-YL {(2S,3R)-4-[{[2-(CYCLOPROPYLAMINO)-1,3-BENZOTHIAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-3-HYDROXY-1-PHENYLBUTAN-2-YL}CARBAMATE
5tys[A2][A2][A2]2.01
7OA:(3S,3AR,5R,7AS,8S)-HEXAHYDRO-4H-3,5-METHANOFURO[2,3-B]PYRAN-8-YL [(2S,3R)-4-[{[2-(CYCLOPROPYLAMINO)-1,3-BENZOTHIAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]CARBAMATE
5ufz[A2][A2][A2]1.65
8BG:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2S)-1-(1-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}CYCLOPROPYL)-1-HYDROXY-3-PHENYLPROPAN-2-YL]CARBAMATE
5ult[A2][A2][A2]1.53
8FM:(3S,3AR,5R,7AS,8S)-HEXAHYDRO-4H-3,5-METHANOFURO[2,3-B]PYRAN-8-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
CL:CHLORIDE ION
NA:SODIUM ION
5uov[A2][A2][A2]1.33
8FP:N-[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]-3-[(2R)-2-(4-METHYL-1,3-THIAZOL-2-YL)PYRROLIDINE-1-CARBONYL]BENZAMIDE
ACT:ACETATE ION
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
5upj[A2][A2][A2]2.3
UIN:5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE
5upz[A2][A2][A2]1.27
8HD:N~3~-{(2S,3R)-3-HYDROXY-4-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-PHENYLBUTAN-2-YL}-N~1~-METHYL-N~1~-[(4-METHYL-1,3-OXAZOL-2-YL)METHYL]BENZENE-1,3-DICARBOXAMIDE
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
5ux4[A][A][A]2.81
3UT:(5S)-3-(5,6-DIHYDRO-2H-PYRAN-3-YL)-1-FLUORO-7-(2-FLUOROPYRIDIN-3-YL)SPIRO[CHROMENO[2,3-C]PYRIDINE-5,4___sq___-[1,3]OXAZOL]-2___sq___-AMINE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
5uyu[A][A][A]1.9
8QV:(5S)-3-(3,6-DIHYDRO-2H-PYRAN-4-YL)-7-[5-(PROP-1-YN-1-YL)PYRIDIN-3-YL]-5___sq___H-SPIRO[1-BENZOPYRANO[2,3-C]PYRIDINE-5,4___sq___-[1,3]OXAZOL]-2___sq___-AMINE
GOL:GLYCEROL
IOD:IODIDE ION
5v0n[A][A][A]2.16
8W4:N-{(1S,2S)-1-[(2S)-4-BENZYL-3-OXOPIPERAZIN-2-YL]-1-HYDROXY-3-PHENYLPROPAN-2-YL}-7-ETHYL-1,3,3-TRIMETHYL-2,2-DIOXO-1,2,3,4-TETRAHYDRO-2LAMBDA~6~-[1,2,5]THIADIAZEPINO[3,4,5-HI]INDOLE-9-CARBOXAMIDE
GOL:GLYCEROL
SO4:SULFATE ION
URE:UREA
5v4y[A2][A2][A2]1.9
8FM:(3S,3AR,5R,7AS,8S)-HEXAHYDRO-4H-3,5-METHANOFURO[2,3-B]PYRAN-8-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
5v8v[A][A][A]2.6
90D:METHYL [(4S)-4-(3___sq___-ETHYL-6-FLUORO[1,1___sq___-BIPHENYL]-2-YL)-4-HYDROXY-4-{(3R)-1-[4-(METHYLAMINO)BUTANOYL]PIPERIDIN-3-YL}BUTYL]CARBAMATE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
5vck[A2][A2][A2]1.8
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
7GC:4-METHYL-N-(THIAZOL-2-YLCARBAMOYL)BENZENESULFONAMIDE
5vea[A2][A2][A2]2
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
9AY:4-METHYLBENZENE-1,2-DIAMINE
DMS:DIMETHYL SULFOXIDE
5vj3[A2][A2][A2]2
HV9:4-METHYL-N-({1-[4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]PIPERIDIN-4-YL}CARBAMOYL)BENZENE-1-SULFONAMIDE
MG:MAGNESIUM ION
5vpm[A][A][A]2.9
9G7:METHYL [(4S)-4-(3___sq___-ETHYL-6-FLUORO[1,1___sq___-BIPHENYL]-2-YL)-4-HYDROXY-4-{(3R)-1-[(PIPERIDIN-4-YL)ACETYL]PIPERIDIN-3-YL}BUTYL]CARBAMATE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
5vrp[A][A][A]3.22
9JD:METHYL [(4S)-4-{(3R)-1-[(3S)-4-AMINO-3-HYDROXYBUTANOYL]PIPERIDIN-3-YL}-4-(3___sq___-ETHYL-6-FLUORO[1,1___sq___-BIPHENYL]-2-YL)-4-HYDROXYBUTYL]CARBAMATE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
5w5w[A2][A2][A2]3
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
DMS:DIMETHYL SULFOXIDE
HV9:4-METHYL-N-({1-[4-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]PIPERIDIN-4-YL}CARBAMOYL)BENZENE-1-SULFONAMIDE
5wlo[A2][A2][A2]1.27
ACT:ACETATE ION
CL:CHLORIDE ION
GOL:GLYCEROL
GR7:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL {(2S,3R)-3-HYDROXY-4-[(7E)-13-METHOXY-1,1-DIOXO-1,4,5,6,9,11-HEXAHYDRO-10,1LAMBDA~6~,2-BENZOXATHIAZACYCLOTRIDECIN-2(3H)-YL]-1-PHENYLBUTAN-2-YL}CARBAMATE
NA:SODIUM ION
5ygx[A][A][A]2.2
0B5:~{N}-[3-[(4~{R},5~{R},6~{S})-2-AZANYL-6-[1,1-BIS(FLUORANYL)ETHYL]-5-FLUORANYL-4-METHYL-5,6-DIHYDRO-1,3-OXAZIN-4-YL]-4-FLUORANYL-PHENYL]-5-(FLUORANYLMETHOXY)PYRAZINE-2-CARBOXAMIDE
DMS:DIMETHYL SULFOXIDE
GOL:GLYCEROL
IOD:IODIDE ION
5ygy[A][A][A]2.3
0B6:~{N}-[3-[(4~{S})-2-AZANYL-6-(FLUORANYLMETHYL)-4-METHYL-1,3-OXAZIN-4-YL]-4-FLUORANYL-PHENYL]-5-CYANO-PYRIDINE-2-CARBOXAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
5yia[A][A][A]2
8V9:(4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-HYDROXYPHENYL)ETHANOYLAMINO]-3-METHYLSULFANYL-PROPANOYL]AMINO]-2-OXIDANYL-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-N-[(1S,2R)-2-OXIDANYL-2,3-DIHYDRO-1H-INDEN-1-YL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
GOL:GLYCEROL
PO4:PHOSPHATE ION
5yib[A][A][A]2.15
8VC:(4R)-3-[(2S,3S)-3-[2-[4-[2-(DIMETHYLAMINO)ETHYL-METHYL-AMINO]-2,6-DIMETHYL-PHENOXY]ETHANOYLAMINO]-2-OXIDANYL-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-N-[(1S,2R)-2-OXIDANYL-2,3-DIHYDRO-1H-INDEN-1-YL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
EDO:1,2-ETHANEDIOL
GOL:GLYCEROL
5yic[A][A][A]1.9
8VO:(4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-AMINOPHENYL)ETHANOYLAMINO]-3-METHYLSULFANYL-PROPANOYL]AMINO]-2-OXIDANYL-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-N-[(1S,2R)-2-OXIDANYL-2,3-DIHYDRO-1H-INDEN-1-YL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
GOL:GLYCEROL
5yid[A][A][A]2.1
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
K95:(4R)-N-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-3-[(2S,3S)-2-HYDROXY-3-{[S-METHYL-N-(PHENYLACETYL)-L-CYSTEINYL]AMINO}-4-PHENYLBUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
NA:SODIUM ION
5yie[A][A][A]2.1
8VF:(4R)-3-[(2S,3S)-3-[2-[4-[2-AZANYLETHYL(ETHYL)AMINO]-2,6-DIMETHYL-PHENOXY]ETHANOYLAMINO]-2-OXIDANYL-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-N-[(1S,2R)-2-OXIDANYL-2,3-DIHYDRO-1H-INDEN-1-YL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
CPS:3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
NA:SODIUM ION
5yoj[A2][A2][A2]1.5
8Z0:(4R)-N-[(2,6-DIMETHYLPHENYL)METHYL]-3-[(2S,3S)-3-[[(2S)-2-[(7-METHOXY-1-BENZOFURAN-2-YL)CARBONYLAMINO]-2-[(3R)-OXOLAN-3-YL]ETHANOYL]AMINO]-2-OXIDANYL-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
GOL:GLYCEROL
5yok[A2][A2][A2]0.85
8Z0:(4R)-N-[(2,6-DIMETHYLPHENYL)METHYL]-3-[(2S,3S)-3-[[(2S)-2-[(7-METHOXY-1-BENZOFURAN-2-YL)CARBONYLAMINO]-2-[(3R)-OXOLAN-3-YL]ETHANOYL]AMINO]-2-OXIDANYL-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXAMIDE
GOL:GLYCEROL
5yq8[A2][A2][A2]2.25
5yrs[AB][a][AB][a][A2][a]1.76
HPH:(2S)-2-AMINO-3-PHENYLPROPANE-1,1-DIOL
5ys4[A2][A2][A2]2.3
6apr[A][a][A][a][A][a]2.5
IVA:ISOVALERIC ACID
STA:STATINE
6b36[A2][A2][A2]1.63
CKD:(S)-N-(3-FLUORO-2-(2-(1-(PHENYLSULFONYL)PIPERAZIN-2-YL)ETHYL)PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
CL:CHLORIDE ION
6b38[A2][A2][A2]1.48
CKM:N-(3-FLUORO-2-{2-[(2S,6R)-6-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL]ETHYL}PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
CL:CHLORIDE ION
6b3c[A2][A2][A2]1.6
CKS:N-(3-FLUORO-2-{2-[(2S,5R)-5-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL]ETHYL}PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
CL:CHLORIDE ION
6b3f[A2][A2][A2]1.46
CKV:N-(3-FLUORO-2-{2-[(2S,5S)-5-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL]ETHYL}PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
CL:CHLORIDE ION
6b3g[A2][A2][A2]1.5
CKY:N-(3-FLUORO-2-{2-[(2S,6S)-6-METHYL-1-(PHENYLSULFONYL)PIPERAZIN-2-YL]ETHYL}PHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
CL:CHLORIDE ION
6b3h[A2][A2][A2]1.62
CL:CHLORIDE ION
CN4:N-(2-{2-[(6R,9S)-2,2-DIOXO-2LAMBDA~6~-THIA-1,7-DIAZABICYCLO[4.3.1]DECAN-9-YL]ETHYL}-3-FLUOROPHENYL)-3,3-BIS(4-FLUOROPHENYL)PROPANAMIDE
6b4n[A2][A2][A2]1.3
CL:CHLORIDE ION
G53:METHYL 2-{4-[{(2R,3S)-3-[({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL]OXY}CARBONYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}(2-METHYLPROPYL)SULFAMOYL]PHENYL}-1,3-OXAZOLE-4-CARBOXYLATE
NA:SODIUM ION
6bfd[A][A][A]1.62
DJS:2-{[(2S)-BUTAN-2-YL]AMINO}-N-{(1R,2S)-1-HYDROXY-3-PHENYL-1-[(2R)-PYRROLIDIN-2-YL]PROPAN-2-YL}-6-(METHYLSULFONYL)PYRIDINE-4-CARBOXAMIDE
GOL:GLYCEROL
6bfe[A][A][A]1.51
DJV:N-[(1R,2S)-1-[(2R,4R)-4-(CYCLOHEXYLMETHOXY)PYRROLIDIN-2-YL]-3-(3,5-DIFLUOROPHENYL)-1-HYDROXYPROPAN-2-YL]ACETAMIDE
GOL:GLYCEROL
6bfw[A][A][A]1.84
DK7:N-[(1S,2S)-1-[(3R,6R)-6-(CYCLOHEXYLMETHOXY)MORPHOLIN-3-YL]-3-(3,5-DIFLUOROPHENYL)-1-HYDROXYPROPAN-2-YL]ACETAMIDE
GOL:GLYCEROL
6bfx[A][A][A]1.99
DKJ:N-{(1S,2S)-3-(3,5-DIFLUOROPHENYL)-1-[(3R,5S,6R)-6-(2,2-DIMETHYLPROPOXY)-5-METHYLMORPHOLIN-3-YL]-1-HYDROXYPROPAN-2-YL}ACETAMIDE
GOL:GLYCEROL
6bra[A2][a][A2][a][A2][a]1.11
CL:CHLORIDE ION
6bz2[A2][A2][A2]1.67
7OA:(3S,3AR,5R,7AS,8S)-HEXAHYDRO-4H-3,5-METHANOFURO[2,3-B]PYRAN-8-YL [(2S,3R)-4-[{[2-(CYCLOPROPYLAMINO)-1,3-BENZOTHIAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]CARBAMATE
ACT:ACETATE ION
CL:CHLORIDE ION
NA:SODIUM ION
6c2i[A][A][A]1.95
EJ7:N-{3-[(1R,5S,6R)-3-AMINO-5-METHYL-2-OXA-4-AZABICYCLO[4.1.0]HEPT-3-EN-5-YL]-4-FLUOROPHENYL}-5-METHOXYPYRAZINE-2-CARBOXAMIDE
GOL:GLYCEROL
IOD:IODIDE ION
SO4:SULFATE ION
6c8x[A2][A2][A2]1.61
BVR:[4-[[(2~{R},3~{S})-3-[[(3~{A}~{S},4~{R},6~{A}~{R})-2,3,3~{A},4,5,6~{A}-HEXAHYDROFURO[2,3-B]FURAN-4-YL]OXYCARBONYLAMINO]-2-OXIDANYL-4-PHENYL-BUTYL]-(2-METHYLPROPYL)SULFAMOYL]PHENYL]-OXIDANYL-OXIDANYLIDENE-BORON
CL:CHLORIDE ION
GOL:GLYCEROL
6c8y[A2][A2][A2]1.94
BVR:[4-[[(2~{R},3~{S})-3-[[(3~{A}~{S},4~{R},6~{A}~{R})-2,3,3~{A},4,5,6~{A}-HEXAHYDROFURO[2,3-B]FURAN-4-YL]OXYCARBONYLAMINO]-2-OXIDANYL-4-PHENYL-BUTYL]-(2-METHYLPROPYL)SULFAMOYL]PHENYL]-OXIDANYL-OXIDANYLIDENE-BORON
CL:CHLORIDE ION
GOL:GLYCEROL
6cdj[A2][A2][A2]1.13
ACT:ACETATE ION
CL:CHLORIDE ION
GOL:GLYCEROL
GR8:(2AS,4R,4AS,7AS,7BS)-OCTAHYDRO-2H-1,7-DIOXACYCLOPENTA[CD]INDEN-4-YL [(2S,3R)-4-[{[2-(CYCLOPROPYLAMINO)-1,3-BENZOTHIAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]CARBAMATE
NA:SODIUM ION
6cdl[A2][A2][A2]1.25
ACT:ACETATE ION
CL:CHLORIDE ION
GOL:GLYCEROL
GR5:(2AR,4S,4AR,7AR,7BR)-OCTAHYDRO-2H-1,7-DIOXACYCLOPENTA[CD]INDEN-4-YL [(2S,3R)-4-[{[2-(CYCLOPROPYLAMINO)-1,3-BENZOTHIAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-(3,5-DIFLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]CARBAMATE
NA:SODIUM ION
6d0d[A2][A2][A2]1.85
FQ4:(3AS,4S,7AR)-HEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-1-(4-FLUOROPHENYL)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}BUTAN-2-YL]CARBAMATE
6d0e[A2][A2][A2]1.95
FQ1:(3AS,4S,7AR)-HEXAHYDRO-4H-FURO[2,3-B]PYRAN-4-YL [(2S,3R)-1-(3,5-DIFLUOROPHENYL)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}BUTAN-2-YL]CARBAMATE
6dgx[A2][A2][A2]2
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
SO4:SULFATE ION
6dgy[A2][A2][A2]1.95
K13:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dgz[A2][A2][A2]1.99
A60:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL](2-ETHYLBUTYL)AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dh0[A2][A2][A2]1.9
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
6dh1[A2][A2][A2]1.97
K13:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dh2[A2][A2][A2]1.98
A60:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL](2-ETHYLBUTYL)AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dh3[A2][A2][A2]1.91
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
SO4:SULFATE ION
6dh4[A2][A2][A2]1.94
K13:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dh5[A2][A2][A2]2.01
A60:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL](2-ETHYLBUTYL)AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dh6[A2][A2][A2]1.97
017:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
SO4:SULFATE ION
6dh7[A2][A2][A2]2
K13:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dh8[A2][A2][A2]1.95
A60:(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-{[(4-AMINOPHENYL)SULFONYL](2-ETHYLBUTYL)AMINO}-1-BENZYL-2-HYDROXYPROPYL]CARBAMATE
SO4:SULFATE ION
6dhc[A][A][A]2.85
GHJ:(3R,3AR,6AS)-N-[(4R,7S,8S,10R,13S)-8-HYDROXY-10,17-DIMETHYL-7-(2-METHYLPROPYL)-5,11,14-TRIOXO-13-(PROPAN-2-YL)-2-THIA-6,12,15-TRIAZAOCTADECAN-4-YL]HEXAHYDROFURO[3,2-D][1,2]OXAZOLE-3-CARBOXAMIDE
GOL:GLYCEROL
SO4:SULFATE ION
URE:UREA
6dif[A2][A2][A2]1.2
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
6dil[A2][A2][A2]1.48
ACT:ACETATE ION
CL:CHLORIDE ION
GOL:GLYCEROL
NA:SODIUM ION
TPV:N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
6dj1[A2][A2][A2]1.26
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
CL:CHLORIDE ION
NA:SODIUM ION
6dj2[A2][A2][A2]1.36
AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
CL:CHLORIDE ION
NA:SODIUM ION
6dj5[A2][A2][A2]1.75
CL:CHLORIDE ION
G52:(3R,3AS,3BR,6AS,7AS)-OCTAHYDRODIFURO[2,3-B:3___sq___,2___sq___-D]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}PROPYL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
6dj7[A2][A2][A2]1.31
ACT:ACETATE ION
CL:CHLORIDE ION
G10:(3R,3AS,6AS)-4,4-DIFLUOROHEXAHYDROFURO[2,3-B]FURAN-3-YL[(2S,3R)-4-{[(4-AMINOPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
6dmi[A][A][A]1.9
5T5:[(1~{R},2~{R})-2-[(4~{S})-2-AZANYL-4-[4-[BIS(FLUORANYL)METHOXY]PHENYL]-5~{H}-1,3-OXAZOL-4-YL]CYCLOPROPYL]-(5-CHLORANYLPYRIDIN-3-YL)METHANONE
DMS:DIMETHYL SULFOXIDE
NA:SODIUM ION
6dv0[A2][A2][A2]1.2
CL:CHLORIDE ION
GA8:TERT-BUTYL [(4S)-6-{[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMOYL}-3,4-DIHYDRO-2H-1-BENZOTHIOPYRAN-4-YL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
6dv4[A2][A2][A2]1.14
ACT:ACETATE ION
CL:CHLORIDE ION
GA5:TERT-BUTYL [(1R,4S)-4-HYDROXY-7-{[(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMOYL}-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL]CARBAMATE
GOL:GLYCEROL
NA:SODIUM ION
6e7j[A2][A2][A2]1.3
CL:CHLORIDE ION
HWY:(3AS,5R,6AR)-2-OXO-3-PHENYLHEXAHYDRO-2H-CYCLOPENTA[D][1,3]OXAZOL-5-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
NA:SODIUM ION
6e9a[A2][A2][A2]1.22
CL:CHLORIDE ION
FMT:FORMIC ACID
J0S:(3AS,5R,6AR)-2-OXOHEXAHYDRO-2H-CYCLOPENTA[D][1,3]OXAZOL-5-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
NA:SODIUM ION
6ej2[A][A][A]1.46
B7E:COMPOUND 28
6ej3[A][A][A]1.94
B7T:(1R,4R)-4-METHOXY-6___sq___-(5-METHYL-3-PYRIDINYL)-3___sq___H-DISPIRO[CYCLOHEXANE-1,2___sq___-INDENE-1___sq___,4___sq______sq___-[1,3]OXAZOL]-2___sq______sq___-AMINE
6eqm[A][A][A]1.35
BUH:~{N}-[6-[(3~{R},6~{R})-5-AZANYL-3,6-DIMETHYL-6-(TRIFLUOROMETHYL)-2~{H}-1,4-OXAZIN-3-YL]-5-FLUORANYL-PYRIDIN-2-YL]-3-CHLORANYL-5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE
6fgy[A][A][A]1.54
D9W:~{N}-[3-[(3~{R})-5-AZANYL-3-METHYL-2,6-DIHYDRO-1,4-OXAZIN-3-YL]PHENYL]-5-BROMANYL-PYRIDINE-2-CARBOXAMIDE
6fiv[A2][A2][A2]1.9
3TL:BENZYL [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-DIBENZYL-8,9-DIHYDROXY-1,16-DIMETHYL-4,13-BIS(1-METHYLETHYL)-2,5,12,15,18-PENTAOXO-20-PHENYL-19-OXA-3,6,11,14,17-PENTAAZAICOS-1-YL]CARBAMATE
SO4:SULFATE ION
6i3f[AB][AB][AB]2.55
BMA:BETA-D-MANNOPYRANOSE
FUC:ALPHA-L-FUCOPYRANOSE
GOL:GLYCEROL
MAN:ALPHA-D-MANNOPYRANOSE
NAG:2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
SO4:SULFATE ION
6ixd[A2][A2][A2]1
B0F:(4R)-3-[(2S,3S)-3-[2-[4-[5-[(3AS,4S,6AR)-2-OXIDANYLIDENE-1,3,3A,4,6,6A-HEXAHYDROTHIENO[3,4-D]IMIDAZOL-4-YL]PENTANOYLAMINO]-2,6-DIMETHYL-PHENOXY]ETHANOYLAMINO]-2-OXIDANYL-4-PHENYL-BUTANOYL]-5,5-DIMETHYL-N-[(1S,2R)-2-OXIDANYL-2,3-DIHYDRO-1H-INDEN-1-YL]-1,3-THIAZOLIDINE-4-CARBOXAMIDE
CL:CHLORIDE ION
GOL:GLYCEROL
SO4:SULFATE ION
6mcr[A2][A2][A2]1.48
EDO:1,2-ETHANEDIOL
JDY:(3S,3AR,5R,7AS,8S)-HEXAHYDRO-4H-3,5-METHANOFURO[2,3-B]PYRAN-8-YL [(2S,3R)-4-[{[2-(CYCLOPROPYLAMINO)-1,3-BENZOTHIAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-(3-FLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]CARBAMATE
6mcs[A2][A2][A2]1.52
JDV:(3S,3AR,5R,7AS,8S)-HEXAHYDRO-4H-3,5-METHANOFURO[2,3-B]PYRAN-8-YL [(2S,3R)-4-[{[2-(CYCLOPROPYLAMINO)-1,3-BENZOTHIAZOL-6-YL]SULFONYL}(2-METHYLPROPYL)AMINO]-1-(4-FLUOROPHENYL)-3-HYDROXYBUTAN-2-YL]CARBAMATE
6otg[A2][A2][A2]1.5
4UY:(3R,3AS,4R,6AR)-4-(METHYLAMINO)HEXAHYDROFURO[2,3-B]FURAN-3-YL [(2S,3R)-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL](2-METHYLPROPYL)AMINO}-1-PHENYLBUTAN-2-YL]CARBAMATE
FMT:FORMIC ACID
GOL:GLYCEROL
6upj[A2][A2][A2]2.34
NIU:6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE
7hvp[A2][a][A2][a][A2][a]2.4
ABA:ALPHA-AMINOBUTYRIC ACID
ACE:ACETYL GROUP
JG3:1-[(2S,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-L-PROLINE
VME:METHYL L-VALINATE
7upj[A2][A2][A2]2
INU:N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
8hvp[A2][a][A2][a][A2][a]2.5
ABA:ALPHA-AMINOBUTYRIC ACID
LOV:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
9hvp[A2][A2][A2]2.8
0E9:BENZYL [(1R,4S,6S,9R)-4,6-DIBENZYL-5-HYDROXY-1,9-BIS(1-METHYLETHYL)-2,8,11-TRIOXO-13-PHENYL-12-OXA-3,7,10-TRIAZATRIDEC-1-YL]CARBAMATE
*Chain Formula of OLIGAMI.
  [ ] : Polypeptide - [AB] : Protein, [ab] : Small peptide
  ( ) : Nucleic acid - (AB) : DNA, (ab) : RNA
PDL