Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03264100
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
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 | B | 2BPV | 0.76 | |
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 | B | 2BPW | 0.76 | |
TPL | TRYPTOPHANOL | A | 1EE7 | 0.73 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.71 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.71 | |
JNK | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.72 | |
BMS | A,B | 1DKF | 0.75 | ||
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.75 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.75 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.75 | |
PZZ | 3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL | A | 2QHW | 0.75 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | |
RSS | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)- HEXANOIC ACID | A,B | 1MMP | 0.7 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.7 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.71 | |
PIX | 4-(3-{[5-(trifluoromethyl)pyridin- 2-yl]oxy}benzyl)piperidine-1-carboxylic acid | A,B | 2WAP | 0.72 | |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2DV2 | 0.74 | |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2FXJ | 0.74 | |
2AH | B | 2CEM | 0.7 | ||
NCL | 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine | A,B | 3ET8 | 0.74 | |
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 | A | 1HVC | 0.77 | |
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 | A | 1HVK | 0.77 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.7 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.7 | |
LA1 | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4- (QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN- 1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | A,B | 1XUO | 0.72 | |
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.71 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.71 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.71 | |
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 | B | 1HVL | 0.77 | |
XN1 | N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4- HYDROXY-2-(1-PHENYLETHYL)-PENTANAMIDE | A,B | 1K6T | 0.75 | |
NCE | 3,6-Bis[(3-morpholinopropionamido)] acridine | A,B | 3EM2 | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.7 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.7 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.7 | |
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-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | B | 2AQU | 0.73 | |
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-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2FXD | 0.73 | |
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-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A | 2O4K | 0.73 | |
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-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | A,B | 2FXE | 0.73 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,C | 1HSH | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDU | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,C,D | 2R5P | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1HSG | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDV | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVS | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 2AVO | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1SDT | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B,D,E | 2AVV | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2B7Z | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1C6Y | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 2BPX | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | A,B | 1K6C | 0.75 | |
MK1 | N-[2(R)-HYDROXY-1(S)-INDANYL]-5- [(2(S)-TERTIARY BUTYLAMINOCARBONYL)- 4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)- HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | B | 1SGU | 0.75 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.77 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.7 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.7 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.7 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.7 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A | 1A53 | 0.7 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RHG | 0.7 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1KFB | 0.7 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RH9 | 0.7 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1A5B | 0.7 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1QOQ | 0.7 | |
GGV | B | 3GGV | 0.72 | ||
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.82 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.71 | |
773 | CETHROMYCIN | 0 | 1NWX | 0.7 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B,C,D | 3EUI | 0.72 | |
NCI | 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine | A,B | 3EQW | 0.72 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.7 | |
P10 | [1-(3-HYDROXY-2-OXO-1-PHENETHYL- PROPYLCARBAMOYL)2-PHENYL-ETHYL]- CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER | A | 1ME3 | 0.72 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.7 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.75 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.72 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.72 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.72 | |
PYN | 3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN- 1-YL-PROPIONYLAMINO)-ACRIDIN-3- YL]-PROPIONAMIDE | A,B | 1L1H | 0.7 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.71 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.7 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.7 | |
SN6 | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | A,B | 144D | 0.71 | |
L1B | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.73 | |
W37 | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.71 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.72 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.72 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.72 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.72 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.76 | |
A2T | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.71 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | |
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.71 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMW | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1Y | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMY | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3CYX | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNP | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | B | 1C6Z | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNK | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A | 1FB7 | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMZ | 0.74 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1X | 0.74 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.75 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.75 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.75 | |
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 | A | 1HVJ | 0.76 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.74 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.71 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.7 | |
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 | H | 3GGA | 0.75 | |
3IL | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.72 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.72 | |
NC5 | 3-[(2R)-2-ethylpiperidin-1-yl]- N-[6-({3-[(2S)-2-ethylpiperidin- 1-yl]propanoyl}amino)acridin-3- yl]propanamide | A,B,C,D | 3EUI | 0.72 | |
NCJ | 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine | A,B | 3ERU | 0.73 | |
4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | C | 2OXM | 0.7 | |
4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | B,C | 2OYT | 0.7 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.73 | |
2S8 | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.73 | |
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 | A,B | 1DIF | 0.73 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.72 | |
IPF | N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N- ACETYLTRYPTOPHYLVALYL)PYRROLIDIN- 2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDE | A,B | 2A1E | 0.7 | |
IHX | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.71 | |
ZY0 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]- 4-ETHYL-8-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)QUINOLINE-6-CARBOXAMIDE | A | 2WF0 | 0.73 | |
GGX | B,C,E,H | 3GGX | 0.73 | ||
NPH | CYSTEINE-METHYLENE-CARBAMOYL-1,10- PHENANTHROLINE | A | 1A18 | 0.72 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.86 | |
MS3 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [VALINYL-AMINOMETHANYL-PYRIDINE] | A | 1EC3 | 0.7 | |
NCQ | 3,6-Bis[3-(azepan-1-yl)propionamido]acridine | A,B | 3EUM | 0.7 | |
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 | A | 1HVI | 0.77 | |
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 | A | 1HVS | 0.77 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.73 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.72 | |
NCK | 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine | A,B | 3ES0 | 0.74 | |
4PP | C,L | 1XKA | 0.73 | ||
4PP | A,B,C,D | 1XKB | 0.73 | ||
POF | (4aS,4bR,10bS,12aS)-12a-methyl- 1,3-dioxo-2-(pyridin-3-ylmethyl)- 1,2,3,4,4a,4b,5,6,10b,11,12,12a- dodecahydronaphtho[2,1-f]isoquinolin- 8-yl sulfamate | A | 3C7P | 0.71 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B | 1VRK | 0.73 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B,C,D | 1QS7 | 0.73 |