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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03067151

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3IL3-(INDOL-3-YL) LACTATEA2A7P0.76
6CW6-CHLORO-L-TRYPTOPHANB2GV20.8
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.8
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.8
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.74
CTE7-CHLOROTRYPTOPHANA2AR80.8
CTE7-CHLOROTRYPTOPHANA2V7L0.8
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.73
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.7
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.73
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.77
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.72
RSS5-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,B1MMP0.7
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.73
IMNINDOMETHACINA2BXM0.77
IMNINDOMETHACINA3FO70.77
IMNINDOMETHACINA,B,C,D1Z9H0.77
IMNINDOMETHACINA2BXQ0.77
IMNINDOMETHACINA,B,C,D4COX0.77
IMNINDOMETHACINA2ALT0.77
IMNINDOMETHACINA2OTH0.77
IMNINDOMETHACINA,B2DM60.77
IMNINDOMETHACINA1S2A0.77
IMNINDOMETHACINA2ZB80.77
IMNINDOMETHACINA3HWZ0.77
IMNINDOMETHACINA2BXK0.77
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.81
AIZ3-{6-[(2-CHLOROPHENYL)AMINO]-1H-
INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID		A2B1P0.72
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.7
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.71
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.71
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.73
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.73
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.76
NZA5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID		A,B2Q5S0.72
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.77
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.77
LCF[6-(4-CHLOROPHENYL)-2,2-DIMETHYL-
7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-
5-YL]ACETIC ACID		A1ZYX0.76
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE		A2P940.71
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
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.7
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.7
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.7
4FW4-FLUOROTRYPTOPHANEA1RM90.74
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
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.71
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.72
FTRFLUOROTRYPTOPHANEA2JT80.74
FTRFLUOROTRYPTOPHANEA,B1NF00.74
FTRFLUOROTRYPTOPHANEA2JTZ0.74
FTRFLUOROTRYPTOPHANEA,B1I450.74
FTRFLUOROTRYPTOPHANEA,B2ZNX0.74
FTRFLUOROTRYPTOPHANEA,B1NEY0.74
FTRFLUOROTRYPTOPHANEA,B5FWG0.74
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide		B1LPZ0.7
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.81
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.74
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.71
UP3A3D8N0.73
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.73
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.72
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.76
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.8
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.8
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.8
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.8
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.74
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.71
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.71
DTE7-CL-D-TRYPTOPHANA2V7M0.8
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H1O5E0.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		B1GJ70.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H,I1GJ40.74
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		A1GJ60.74
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.74
4IN4-AMINO-L-TRYPTOPHANA1OXF0.74
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.77
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.71
3964-(2-chlorophenyl)-9-hydroxy-6-
methyl-1,3-dioxo-N-(2-pyrrolidin-
1-ylethyl)pyrrolo[3,4-g]carbazole-
8-carboxamide		A3BI60.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.72
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.7
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.72
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.79
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.72
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.72
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.72
BTR6-BROMO-TRYPTOPHANA1WCT0.71
SF11-BENZYL-5-CHLORO-3-(PHENYLTHIO)-
1H-INDOLE-2-CARBOXYLIC ACID		A,B2Q610.72
IMS2-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1S)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYU0.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.74
TRO2-HYDROXY-TRYPTOPHANA1G3P0.74
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.77
IOPINDOLYLPROPIONIC ACIDA2OLI0.77
IOPINDOLYLPROPIONIC ACIDA,B2AY50.77
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.71
IM82-[1-(4-CHLOROBENZOYL)-5-METHOXY-
2-METHYL-1H-INDOL-3-YL]-N-[(1R)-
1-(HYDROXYMETHYL)PROPYL]ACETAMIDE		P2OYE0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.79
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.8
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.8
PP9PROTOPORPHYRIN IXA1Z530.72
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.72
PP9PROTOPORPHYRIN IXA,B2QD50.72
PP9PROTOPORPHYRIN IXA1HRS0.72
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.72
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.71
770N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-
1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-
9-YL]FORMAMIDE		A2Z2W0.75
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5Q0.73
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1EXV0.73
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5S0.73
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L7X0.73
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID		A,B1L5R0.73
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.71
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.72
4HT4-HYDROXYTRYPTOPHANH,L1RU90.71
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.71
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.7
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.73
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.74
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.75
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.75
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1H5U0.7
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1C500.7
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1LWO0.7
238A2PRH0.74