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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03070252

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ATU9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-
B]INDOL-6-ONE		A,B1Q3W0.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.81
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.84
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.82
IOPINDOLYLPROPIONIC ACIDA2OLI0.82
IOPINDOLYLPROPIONIC ACIDA,B2AY50.82
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.85
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.85
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.85
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.85
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.75
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.76
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.72
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.7
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.7
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.76
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CAQ0.73
DPS3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-
PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
PROPIONIC ACID		A1CIZ0.73
6MRN-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-
D-TRYPTOPHAN		A,B2OW00.74
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.74
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.71
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.75
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.72
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.74
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.74
1CPCOPROPORPHYRIN IA1R3S0.73
1CPCOPROPORPHYRIN IA1R3V0.73
1CPCOPROPORPHYRIN IA1R3Q0.73
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.76
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide		A,B2ZB20.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID		A,F1LEV0.75
8249-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-
1,3(2H,6H)-DIONE		A1X8B0.75
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.73
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,B1MMP0.73
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.77
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.75
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.75
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE		A1O3L0.74
3IL3-(INDOL-3-YL) LACTATEA2A7P0.8
BD46-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-
C]CARBAZOLE-1,3(2H,6H)-DIONE		A1WVX0.7
MMPN-METHYLMESOPORPHYRINA,B,C,D3FCT0.73
MMPN-METHYLMESOPORPHYRINL1N7M0.73
MMPN-METHYLMESOPORPHYRINB,H1NGW0.73
MMPN-METHYLMESOPORPHYRINA1C1H0.73
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE		A,B2I0E0.73
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.74
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.85
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.76
CTE7-CHLOROTRYPTOPHANA2AR80.76
CTE7-CHLOROTRYPTOPHANA2V7L0.76
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.78
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.72
TPLTRYPTOPHANOLA1EE70.72
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.78
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.77
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.81
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.8
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.8
BTR6-BROMO-TRYPTOPHANA1WCT0.75
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.74
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
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.7
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.7
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.7
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.7
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.7
PQQPYRROLOQUINOLINE QUINONEA1KV90.7
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.7
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.7
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.7
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.7
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.7
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.7
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.7
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.7
PQQPYRROLOQUINOLINE QUINONEA1KB00.7
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.7
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.7
PQQPYRROLOQUINOLINE QUINONEA,C1G720.7
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.73
BRFA1UUO0.77
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER		A,B1M490.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.7
7CK7-carboxy-5-hydroxy-12,13-dihydro-
6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole		A,B2R0G0.73
8393-(9-HYDROXY-1,3-DIOXO-4-PHENYL-
2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-
6(1H)-YL)PROPANOIC ACID		A2IN60.72
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.81
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.72
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
2MI2-METHYL-1H-INDOLEA2PIO0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.81
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A,B1E510.73
PBG3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-
1H-PYRROL-3-YL]PROPANOIC ACID		A1OHL0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.81
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.81
0AF7-hydroxy-L-tryptophanL1MAE0.73
0AF7-hydroxy-L-tryptophanL1MAF0.73
6CW6-CHLORO-L-TRYPTOPHANB2GV20.75
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.75
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.75
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.74
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.74
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.73
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.73
IMNINDOMETHACINA2BXM0.71
IMNINDOMETHACINA3FO70.71
IMNINDOMETHACINA,B,C,D1Z9H0.71
IMNINDOMETHACINA2BXQ0.71
IMNINDOMETHACINA,B,C,D4COX0.71
IMNINDOMETHACINA2ALT0.71
IMNINDOMETHACINA2OTH0.71
IMNINDOMETHACINA,B2DM60.71
IMNINDOMETHACINA1S2A0.71
IMNINDOMETHACINA2ZB80.71
IMNINDOMETHACINA3HWZ0.71
IMNINDOMETHACINA2BXK0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
PP9PROTOPORPHYRIN IXA1Z530.75
PP9PROTOPORPHYRIN IXA,B,C,D2HRE0.75
PP9PROTOPORPHYRIN IXA,B2QD50.75
PP9PROTOPORPHYRIN IXA1HRS0.75
PP9PROTOPORPHYRIN IXA,B,C,D2QD10.75
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.85
ASEN-ACETYL SEROTONINA1NAS0.7
UP3A3D8N0.76
4PPC,L1XKA0.7
4PPA,B,C,D1XKB0.7
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE		A,B1FGI0.76
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.77
TRO2-HYDROXY-TRYPTOPHANA1KB00.78
TRO2-HYDROXY-TRYPTOPHANA1G3P0.78
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D2Q1L0.7
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID		A,C,D3CD70.7
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.75
FTRFLUOROTRYPTOPHANEA2JT80.81
FTRFLUOROTRYPTOPHANEA,B1NF00.81
FTRFLUOROTRYPTOPHANEA2JTZ0.81
FTRFLUOROTRYPTOPHANEA,B1I450.81
FTRFLUOROTRYPTOPHANEA,B2ZNX0.81
FTRFLUOROTRYPTOPHANEA,B1NEY0.81
FTRFLUOROTRYPTOPHANEA,B5FWG0.81
H02N-METHYL PROTOPORPHYRIN IX 2,4-
DISULFONIC ACID		A2Q3J0.7
4FW4-FLUOROTRYPTOPHANEA1RM90.81
238A2PRH0.72
DTRD-TRYPTOPHANA,B,C,D2R3C0.8
DTRD-TRYPTOPHANA1XY80.8
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.8
DTRD-TRYPTOPHANA2V7K0.8
DTRD-TRYPTOPHANA,D1CZQ0.8
DTRD-TRYPTOPHANA1DFY0.8
DTRD-TRYPTOPHANA1XY50.8
DTRD-TRYPTOPHANA1NXN0.8
DTRD-TRYPTOPHANA1TKF0.8
DTRD-TRYPTOPHANA1YL90.8
DTRD-TRYPTOPHANA1XXZ0.8
DTRD-TRYPTOPHANA1XY40.8
DTRD-TRYPTOPHANA,D2Q3I0.8
DTRD-TRYPTOPHANA1QFB0.8
DTRD-TRYPTOPHANA1DFZ0.8
DTRD-TRYPTOPHANA1XY90.8
DTRD-TRYPTOPHANA1XY60.8
DTRD-TRYPTOPHANA2SOC0.8
DTRD-TRYPTOPHANA2JUE0.8
DTRD-TRYPTOPHANA1SOC0.8
DTRD-TRYPTOPHANA1YL80.8
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.8
DTRD-TRYPTOPHANA,B2Q330.8
DTRD-TRYPTOPHANA1DG00.8
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.8
2FH2-PHENYLHEMEA,B1S130.71
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.75
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.75
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.7
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.76
CP3COPROPORPHYRIN IIIA1R3T0.73
CP3COPROPORPHYRIN IIIA1R3W0.73
CP3COPROPORPHYRIN IIIA1R3Y0.73
CP3COPROPORPHYRIN IIIA2Q710.73
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
LBVA2O9B0.7
LBVA,B2OOL0.7
LBVA2O9C0.7
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.82
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.74
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.74
DTE7-CL-D-TRYPTOPHANA2V7M0.76
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.76
1157-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-
1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWI0.77
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.78
4IN4-AMINO-L-TRYPTOPHANA1OXF0.78
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.85
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE		A2D820.72
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.71
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G5N0.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.78