Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02816770
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 |
6IN![]() | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.7 | ![]() |
CLI![]() | 3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID | A,F | 1LEV | 0.7 | ![]() |
V25![]() | ethyl 3-[(E)-2-amino-1-cyanoethenyl]- 6,7-dichloro-1-methyl-1H-indole- 2-carboxylate | A | 2VAG | 0.71 | ![]() |
IQA![]() | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.71 | ![]() |
JTP![]() | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.72 | ![]() |
CRR![]() | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.76 | ![]() |
IMN![]() | INDOMETHACIN | A | 2BXM | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 3FO7 | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A,B,C,D | 1Z9H | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 2BXQ | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A,B,C,D | 4COX | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 2ALT | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 2OTH | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A,B | 2DM6 | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 1S2A | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 2ZB8 | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 3HWZ | 0.72 | ![]() |
IMN![]() | INDOMETHACIN | A | 2BXK | 0.72 | ![]() |
330![]() | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.71 | ![]() |
UCN![]() | 7-HYDROXYSTAUROSPORINE | A | 1OKZ | 0.74 | ![]() |
UCN![]() | 7-HYDROXYSTAUROSPORINE | A,C | 1PKD | 0.74 | ![]() |
UCN![]() | 7-HYDROXYSTAUROSPORINE | A | 1NVQ | 0.74 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A | 2J0J | 0.73 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | B | 2J0M | 0.73 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A,B | 2J0K | 0.73 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A | 1YVJ | 0.73 | ![]() |
4ST![]() | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | A,B,C | 2HZ4 | 0.73 | ![]() |
I3N![]() | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.73 | ![]() |
2CC![]() | 3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid | A | 3A1L | 0.71 | ![]() |
IMM![]() | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.74 | ![]() |
IMM![]() | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.74 | ![]() |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.72 | ![]() |
2FH![]() | 2-PHENYLHEME | A,B | 1S13 | 0.7 | ![]() |
TTR![]() | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.72 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.72 | ![]() |
FIC![]() | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.73 | ![]() |
HR1![]() | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3- ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO- 3H-PYRROLO[2,3-C]QUINOLIN-2-YL]- 3,5-DIHYDROXYHEPTANOIC ACID | A,B,C,D | 2Q6C | 0.74 | ![]() |
CBB![]() | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.8 | ![]() |
STU![]() | STAUROSPORINE | A,B | 3CBL | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1QPJ | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 3CD3 | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 2ITU | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 2BUJ | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 2CLQ | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1XBC | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 2ITW | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1E8Z | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1YHS | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 3D7T | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1QPD | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 2Z7R | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B,C,D | 2NRY | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1U59 | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1NVR | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B,C,D | 2OIC | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1AQ1 | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1BYG | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 1SM2 | 0.73 | ![]() |
STU![]() | STAUROSPORINE | X | 2DQ7 | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 3CKX | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 1Q3D | 0.73 | ![]() |
STU![]() | STAUROSPORINE | E | 1STC | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1OKY | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1WVY | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 2HW7 | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 1SNU | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 2ITQ | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B,C,D | 1NXK | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 3BKB | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 1XJD | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A | 3FME | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B | 2GCD | 0.73 | ![]() |
STU![]() | STAUROSPORINE | A,B,C | 2PZY | 0.73 | ![]() |
VIN![]() | 12-(2-hydroxyethyl)-2-(1-methylethoxy)- 13,14-dihydronaphtho[2,1-a]pyrrolo[3,4- c]carbazol-5(12H)-one | A | 3DTC | 0.71 | ![]() |
I4A![]() | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.72 | ![]() |
YPA![]() | (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)- PHENYL)-2-ETHOXY-PROPIONIC ACID | A | 1KNU | 0.71 | ![]() |
BRF![]() | A | 1UUO | 0.72 | ![]() | |
839![]() | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID | A | 2IN6 | 0.72 | ![]() |
NZA![]() | 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q5S | 0.71 | ![]() |
BRE![]() | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.73 | ![]() |
HE5![]() | ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER | A | 2IN4 | 0.71 | ![]() |
IMA![]() | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | B | 1LPG | 0.71 | ![]() |
IMA![]() | [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | A | 1LQE | 0.71 | ![]() |
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 | 0.71 | ![]() |
DEU![]() | CO(III)-(DEUTEROPORPHYRIN IX) | A,B | 1PYZ | 0.71 | ![]() |
DEU![]() | CO(III)-(DEUTEROPORPHYRIN IX) | A,B | 1VL3 | 0.71 | ![]() |
T19![]() | PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL | H,I | 1AIX | 0.74 | ![]() |
669![]() | 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID | A | 1MZS | 0.71 | ![]() |
POO![]() | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.76 | ![]() |
7CK![]() | 7-carboxy-5-hydroxy-12,13-dihydro- 6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole | A,B | 2R0G | 0.76 | ![]() |
TCR![]() | CYCLOMETHYLTRYPTOPHAN | A | 3AIG | 0.71 | ![]() |
IID![]() | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.72 | ![]() |
3CS![]() | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4- IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)- 1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,B,C,D,E,F | 2Q7R | 0.74 | ![]() |
CIA![]() | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A,B | 1UDU | 0.72 | ![]() |
CIA![]() | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A | 1XOZ | 0.72 | ![]() |
SF1![]() | 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID | A,B | 2Q61 | 0.72 | ![]() |
ZAA![]() | (5-{3-[2-(5-methyl-2-phenyl-1,3- oxazol-4-yl)ethoxy]benzyl}-2-phenyl- 2H-1,2,3-triazol-4-yl)acetic acid | A | 3BC5 | 0.71 | ![]() |
8CA![]() | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.73 | ![]() |
QND![]() | QUINALDIC ACID | A,B | 1IDA | 0.72 | ![]() |
1ST![]() | (5S,6R,7R,9R)-12-HYDROXY-6-METHOXY- 5-METHYL-7-(METHYLAMINO)-6,7,8,9- TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15- TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4- JKL]CYCLOPENTA[E]-AS-INDACEN-14- ONE | 1 | 2HY8 | 0.71 | ![]() |
F8A![]() | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.71 | ![]() |
CMF![]() | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.78 | ![]() |
V5X![]() | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY- 2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}- N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE | A,B | 2V5X | 0.71 | ![]() |
NSI![]() | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)- 1-[3-(TRIFLUOROMETHYL)BENZYL]-1H- INDOLE-2-CARBOXAMIDE | A | 2HFP | 0.71 | ![]() |
DSI![]() | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)- 8-METHYL-3,6,7,8-TETRAHYDRO-3,6- DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER | B | 1DSI | 0.74 | ![]() |
EHA![]() | (5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}- 1H-INDOL-1-YL)ACETIC ACID | A | 2F4B | 0.71 | ![]() |
073![]() | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]- 5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID | A,B | 2FJM | 0.73 | ![]() |
073![]() | (4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL- 1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]- 5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACID | A,B | 2FJN | 0.73 | ![]() |