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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03480789

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.74
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.71
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.71
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.7
8IN[3-(1-BENZYL-3-CARBAMOYLMETHYL-
2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-
]-PHOSPHONIC ACID		A1DB40.71
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.72
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.7
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one		A3F3Z0.71
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one		A,C3EB00.71
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.79
C1BH2B7D0.72
ZYEN-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
1-ETHYL-4-(2-OXO-2,3-DIHYDRO-1H-
PYRROL-1-YL)-1H-INDOLE-6-CARBOXAMIDE		A2WEZ0.7
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.73
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.73
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.73
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.73
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.73
PQQPYRROLOQUINOLINE QUINONEA1KV90.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.73
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.73
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.73
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.73
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.73
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.73
PQQPYRROLOQUINOLINE QUINONEA1KB00.73
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.73
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.73
PQQPYRROLOQUINOLINE QUINONEA,C1G720.73
SA32,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-
6,7,12,13-TETRAHYDROINDOLO[2,3-
A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE		A,C,D1SEU0.74
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.77
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.74
TRO2-HYDROXY-TRYPTOPHANA1KB00.81
TRO2-HYDROXY-TRYPTOPHANA1G3P0.81
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE		A,B2DXS0.7
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.77
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.77
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.77
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.77
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.77
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.77
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.75
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.77
BIZBIZELESINB226D0.7
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,B2V5X0.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.73
4HT4-HYDROXYTRYPTOPHANH,L1RU90.77
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.77
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.77
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.77
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.72
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.72
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.72
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.72
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.72
IMNINDOMETHACINA2BXM0.75
IMNINDOMETHACINA3FO70.75
IMNINDOMETHACINA,B,C,D1Z9H0.75
IMNINDOMETHACINA2BXQ0.75
IMNINDOMETHACINA,B,C,D4COX0.75
IMNINDOMETHACINA2ALT0.75
IMNINDOMETHACINA2OTH0.75
IMNINDOMETHACINA,B2DM60.75
IMNINDOMETHACINA1S2A0.75
IMNINDOMETHACINA2ZB80.75
IMNINDOMETHACINA3HWZ0.75
IMNINDOMETHACINA2BXK0.75
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID		A,B2Q590.73
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.72
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.72
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
3593-[[3-[(2R)-3-[[(2S)-5-amino-1-
[(4-carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-2-
(ethylsulfonylamino)-3-oxo-propyl]-
1H-indol-5-yl]oxymethyl]benzoic acid		H,L2ZZU0.7
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.77
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.77
3964-(2-chlorophenyl)-9-hydroxy-6-
methyl-1,3-dioxo-N-(2-pyrrolidin-
1-ylethyl)pyrrolo[3,4-g]carbazole-
8-carboxamide		A3BI60.73
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.73
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.77
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.77
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE		A1O3L0.75
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.76
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.71
0AF7-hydroxy-L-tryptophanL1MAE0.75
0AF7-hydroxy-L-tryptophanL1MAF0.75
CIA6-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,B1UDU0.7
CIA6-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		A1XOZ0.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		B1LPG0.71
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		A1LQE0.71
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B1DSI0.78
AIZ3-{6-[(2-CHLOROPHENYL)AMINO]-1H-
INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID		A2B1P0.71
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		A1DSM0.73
DSA4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-
1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-
3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B1DSA0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.72
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID		A1MZS0.71
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.79
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.72
DUO4-HYDROXY-2,8-DIMETHYL-1-OXO-6-
(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-
1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-
AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B107D0.7
SROSEROTONINA,B3BRN0.72
SROSEROTONINA2QEH0.72
6072-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-
BIPHENYL-3-YL)SUCCINATE		A1O360.71
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.79
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE		A2IOG0.73
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1MG30.73
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL		A,B,C1PBY0.73
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYU0.73
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE		A,B2BQ70.73
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.83
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.77
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.7
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYE0.73
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.75
N1HH2F9B0.77
AG1RUTHENIUM PYRIDOCARBAZOLEA,B2JLD0.73
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		12HY80.71
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.76
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A2IO60.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H1O5E0.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		B1GJ70.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H,I1GJ40.7
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		A1GJ60.7
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.82
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID		A,B2Q5P0.73
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.75
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.75
ASEN-ACETYL SEROTONINA1NAS0.73
3HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
[(2-hydroxyphenyl)carbamoyl]-5-
(1-methylethyl)-3-phenyl-1H-pyrrol-
1-yl]-3,5-dihydroxyheptanoic acid		B,C,D3CCT0.73