Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01001168
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 |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.71 | |
WSK | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL | A | 1T84 | 0.7 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.74 | |
SF1 | 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q61 | 0.71 | |
C80 | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE | C,O | 2V11 | 0.79 | |
L92 | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.7 | |
4HT | 4-HYDROXYTRYPTOPHAN | H,L | 1RU9 | 0.74 | |
4HT | 4-HYDROXYTRYPTOPHAN | H,L | 1RUM | 0.74 | |
4HT | 4-HYDROXYTRYPTOPHAN | H,L | 1RUL | 0.74 | |
4HT | 4-HYDROXYTRYPTOPHAN | H,L | 1RUA | 0.74 | |
DRD | 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2- NAPHTHYL)OXY]PROPYL}-1H-INDOL-4- YL)OXY]-2-METHYLPROPANOIC ACID | A | 2HWR | 0.71 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A,B | 2VD5 | 0.7 | |
BI8 | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3- YL]-4-(1-METHYL-1H-INDOL-3-YL)- 1H-PYRROLE-2,5-DIONE | A | 1UVR | 0.7 | |
ET0 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid | A,B | 3ET0 | 0.72 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.84 | |
IMN | INDOMETHACIN | A | 2BXM | 0.7 | |
IMN | INDOMETHACIN | A | 3FO7 | 0.7 | |
IMN | INDOMETHACIN | A,B,C,D | 1Z9H | 0.7 | |
IMN | INDOMETHACIN | A | 2BXQ | 0.7 | |
IMN | INDOMETHACIN | A,B,C,D | 4COX | 0.7 | |
IMN | INDOMETHACIN | A | 2ALT | 0.7 | |
IMN | INDOMETHACIN | A | 2OTH | 0.7 | |
IMN | INDOMETHACIN | A,B | 2DM6 | 0.7 | |
IMN | INDOMETHACIN | A | 1S2A | 0.7 | |
IMN | INDOMETHACIN | A | 2ZB8 | 0.7 | |
IMN | INDOMETHACIN | A | 3HWZ | 0.7 | |
IMN | INDOMETHACIN | A | 2BXK | 0.7 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.77 | |
809 | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)- 6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)- dione | A | 3CR0 | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.7 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.7 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.7 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.7 | |
2CC | 3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid | A | 3A1L | 0.71 | |
FIC | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.72 | |
BRF | A | 1UUO | 0.74 | ||
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.77 | |
IDA | (2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID | A,B | 1OXL | 0.71 | |
CMM | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN- 3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL- 1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER | A,B | 1M49 | 0.7 | |
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 | 0.73 | |
EHA | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.72 | |
678 | (3-{5-[AMINO(IMINIO)METHYL]-1H- INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE | A | 1O3L | 0.74 | |
ITR | IMINO-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.75 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1Q | 0.78 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A | 2OYF | 0.78 | |
IAC | 1H-INDOL-3-YLACETIC ACID | A,B | 3FVU | 0.78 | |
IAC | 1H-INDOL-3-YLACETIC ACID | B | 2P1P | 0.78 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.77 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.71 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.71 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.71 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.71 | |
TRX | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 1K83 | 0.73 | |
TRX | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L, M,T | 2VUM | 0.73 | |
TRX | 6-HYDROXYTRYPTOPHAN | A,B,C,I,J,L,M | 3CQZ | 0.73 | |
T19 | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.71 | |
BMS | A,B | 1DKF | 0.72 | ||
PAT | ALPHA-PHOSPHONO-TRYPTOPHAN | A,B | 1I73 | 0.72 | |
IOK | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.7 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.7 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.7 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.7 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.7 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.7 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.7 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.7 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.7 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.7 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.7 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.7 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.7 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.7 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.7 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.7 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.7 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.7 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.7 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.7 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.7 | |
DTR | D-TRYPTOPHAN | A,B,C,D | 2R3C | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY8 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5D | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2V7K | 0.74 | |
DTR | D-TRYPTOPHAN | A,D | 1CZQ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DFY | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY5 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1NXN | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1TKF | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1YL9 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XXZ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY4 | 0.74 | |
DTR | D-TRYPTOPHAN | A,D | 2Q3I | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1QFB | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DFZ | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY9 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1XY6 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2SOC | 0.74 | |
DTR | D-TRYPTOPHAN | A | 2JUE | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1SOC | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1YL8 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,D,E,F, G,H | 1DDO | 0.74 | |
DTR | D-TRYPTOPHAN | A,B | 2Q33 | 0.74 | |
DTR | D-TRYPTOPHAN | A | 1DG0 | 0.74 | |
DTR | D-TRYPTOPHAN | A,B,C,H,K,L | 2R5B | 0.74 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.71 | |
4FW | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.73 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.76 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A | 3ET3 | 0.71 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET1 | 0.71 | |
ET1 | 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]- 1H-indol-3-yl}propanoic acid | A,B | 3ET2 | 0.71 | |
FTR | FLUOROTRYPTOPHANE | A | 2JT8 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NF0 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A | 2JTZ | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1I45 | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 2ZNX | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 1NEY | 0.73 | |
FTR | FLUOROTRYPTOPHANE | A,B | 5FWG | 0.73 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.72 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.72 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.74 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.74 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.74 | |
NZA | 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q5S | 0.71 | |
643 | 6-(4-{[3-(3,5-dichloropyridin-4- yl)-5-(1-methylethyl)isoxazol-4- yl]methoxy}-2-methylphenyl)-1-methyl- 1H-indole-3-carboxylic acid | A | 3FXV | 0.71 | |
238 | A | 2PRH | 0.7 | ||
POO | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.79 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.77 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.77 | |
ARH | 3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE | A,B,C,D | 1H69 | 0.73 | |
HRP | 5-HYDROXY-L-TRYPTOPHAN | B | 1YIA | 0.74 | |
115 | 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWI | 0.73 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K8Z | 0.71 | |
IAG | N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID | A,B | 1K7E | 0.71 | |
IAD | N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID | A,B | 1K3U | 0.71 | |
MMG | 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-yl)benzoic acid | A | 3HDM | 0.71 | |
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 | 0.76 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.86 | |
BTR | 6-BROMO-TRYPTOPHAN | A | 1WCT | 0.79 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.74 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.8 | |
CRR | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.77 | |
FT6 | 6-FLUORO-L-TRYPTOPHAN | A,B | 2NW9 | 0.73 | |
SU1 | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.71 | |
DRY | [(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}- 1H-INDOL-5-YL)OXY]ACETIC ACID | A | 2HWQ | 0.72 | |
IQA | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.72 | |
TRO | 2-HYDROXY-TRYPTOPHAN | A | 1KB0 | 0.7 | |
TRO | 2-HYDROXY-TRYPTOPHAN | A | 1G3P | 0.7 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.82 | |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.72 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 1AHF | 0.75 | |
IOP | INDOLYLPROPIONIC ACID | A | 2OLI | 0.75 | |
IOP | INDOLYLPROPIONIC ACID | A,B | 2AY5 | 0.75 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1QPA | 0.75 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1B80 | 0.75 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A | 1ROV | 0.75 | |
MPE | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)- ACETIC ACID | A | 1M4A | 0.72 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.74 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.74 | |
DFN | 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)- PHENYL]-4-(5-FLUORO-1-METHYL-1H- INDOL-3-YL)-PYRROLE-2,5-DIONE | A,B | 1R0E | 0.7 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.87 | |
2S8 | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.73 | |
ZAM | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.7 | |
0AF | 7-hydroxy-L-tryptophan | L | 1MAE | 0.7 | |
0AF | 7-hydroxy-L-tryptophan | L | 1MAF | 0.7 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.73 | |
3IL | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.73 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B | 1VRK | 0.74 | |
TRF | N1-FORMYL-TRYPTOPHAN | A,B,C,D | 1QS7 | 0.74 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A,B | 2HXX | 0.72 | |
4IN | 4-AMINO-L-TRYPTOPHAN | A | 1OXF | 0.72 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.77 | |
IAV | N-[1H-INDOL-3-YL-ACETYL]VALINE ACID | A,B | 1K7F | 0.71 | |
839 | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID | A | 2IN6 | 0.73 | |
KAW | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan | A | 3BKL | 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 | 0.7 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.72 |