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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03070308

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
238A2PRH0.71
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.74
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.84
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.73
BRFA1UUO0.75
BMSA,B1DKF0.73
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.7
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.7
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.73
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.77
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.77
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER		B1DSI0.71
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYU0.71
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.79
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.76
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYE0.71
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.77
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.75
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.79
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.77
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.76
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.7
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.78
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
0AF7-hydroxy-L-tryptophanL1MAE0.71
0AF7-hydroxy-L-tryptophanL1MAF0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.8
6CW6-CHLORO-L-TRYPTOPHANB2GV20.71
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.71
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.71
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.7
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.7
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.7
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.7
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.7
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.7
4FW4-FLUOROTRYPTOPHANEA1RM90.74
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.7
DTRD-TRYPTOPHANA,B,C,D2R3C0.75
DTRD-TRYPTOPHANA1XY80.75
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.75
DTRD-TRYPTOPHANA2V7K0.75
DTRD-TRYPTOPHANA,D1CZQ0.75
DTRD-TRYPTOPHANA1DFY0.75
DTRD-TRYPTOPHANA1XY50.75
DTRD-TRYPTOPHANA1NXN0.75
DTRD-TRYPTOPHANA1TKF0.75
DTRD-TRYPTOPHANA1YL90.75
DTRD-TRYPTOPHANA1XXZ0.75
DTRD-TRYPTOPHANA1XY40.75
DTRD-TRYPTOPHANA,D2Q3I0.75
DTRD-TRYPTOPHANA1QFB0.75
DTRD-TRYPTOPHANA1DFZ0.75
DTRD-TRYPTOPHANA1XY90.75
DTRD-TRYPTOPHANA1XY60.75
DTRD-TRYPTOPHANA2SOC0.75
DTRD-TRYPTOPHANA2JUE0.75
DTRD-TRYPTOPHANA1SOC0.75
DTRD-TRYPTOPHANA1YL80.75
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.75
DTRD-TRYPTOPHANA,B2Q330.75
DTRD-TRYPTOPHANA1DG00.75
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.75
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.73
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
FTRFLUOROTRYPTOPHANEA2JT80.74
FTRFLUOROTRYPTOPHANEA,B1NF00.74
FTRFLUOROTRYPTOPHANEA2JTZ0.74
FTRFLUOROTRYPTOPHANEA,B1I450.74
FTRFLUOROTRYPTOPHANEA,B2ZNX0.74
FTRFLUOROTRYPTOPHANEA,B1NEY0.74
FTRFLUOROTRYPTOPHANEA,B5FWG0.74
IMNINDOMETHACINA2BXM0.74
IMNINDOMETHACINA3FO70.74
IMNINDOMETHACINA,B,C,D1Z9H0.74
IMNINDOMETHACINA2BXQ0.74
IMNINDOMETHACINA,B,C,D4COX0.74
IMNINDOMETHACINA2ALT0.74
IMNINDOMETHACINA2OTH0.74
IMNINDOMETHACINA,B2DM60.74
IMNINDOMETHACINA1S2A0.74
IMNINDOMETHACINA2ZB80.74
IMNINDOMETHACINA3HWZ0.74
IMNINDOMETHACINA2BXK0.74
PP9PROTOPORPHYRIN IXA1Z530.71
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.71
PP9PROTOPORPHYRIN IXA,B2QD50.71
PP9PROTOPORPHYRIN IXA1HRS0.71
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.71
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.77
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.75
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.76
IOPINDOLYLPROPIONIC ACIDA2OLI0.76
IOPINDOLYLPROPIONIC ACIDA,B2AY50.76
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.74
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.74
UP3A3D8N0.73
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.73
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.77
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE		A,B1I300.71
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.76
SF11-BENZYL-5-CHLORO-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID		A,B2Q610.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.8
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.72
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.74
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.75
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.71
AIZ3-{6-[(2-CHLOROPHENYL)AMINO]-1H-
INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID		A2B1P0.71
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE		A1O2V0.7
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE		A1O2Y0.7
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE		A1O2U0.7
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE		A1O2X0.7
8472-(3-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE		A1O2W0.7
BTR6-BROMO-TRYPTOPHANA1WCT0.79
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.79
3309-HYDROXY-6-(3-HYDROXYPROPYL)-4-
(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A2IO60.7
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.79
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.7
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.7
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.78
TRO2-HYDROXY-TRYPTOPHANA1G3P0.78
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.75
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.71
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.75
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.75
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.75
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.76
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.76
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE		A1O3L0.82
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.71
QNDQUINALDIC ACIDA,B1IDA0.72
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.71
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.8
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.75
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.73
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.73
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.78
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.79
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.79
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.79
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.79
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.76
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.76
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.76
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.76
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.76
PQQPYRROLOQUINOLINE QUINONEA1KV90.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.76
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.76
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.76
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.76
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.76
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.76
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.76
PQQPYRROLOQUINOLINE QUINONEA1KB00.76
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.76
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.76
PQQPYRROLOQUINOLINE QUINONEA,C1G720.76
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.82
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.75
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.75
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.71
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3I0.75
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3H0.75