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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00847742

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTR6-BROMO-TRYPTOPHANA1WCT0.72
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol		A2RH10.71
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
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.79
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.79
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.73
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.77
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.84
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE		A2G5V0.71
4HT4-HYDROXYTRYPTOPHANH,L1RU90.75
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.75
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.75
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.75
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.74
2CC3,4-bis(7-chloro-1H-indol-3-yl)-
1H-pyrrole-2,5-dicarboxylic acid		A3A1L0.71
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.77
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.73
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.71
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		C2OXM0.71
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE		B,C2OYT0.71
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.72
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.72
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.75
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.75
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.75
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.75
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.77
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.78
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.8
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.8
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.8
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.72
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.74
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.77
5BN5-[(2-AMINOETHYL)AMINO]-6-FLUORO-
3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-
2(1H)-ONE		A1P2A0.7
DTE7-CL-D-TRYPTOPHANA2V7M0.72
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid		A3FR40.72
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.72
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H1O5E0.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		B1GJ70.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		H,I1GJ40.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE		A1GJ60.71
4FW4-FLUOROTRYPTOPHANEA1RM90.75
FTRFLUOROTRYPTOPHANEA2JT80.75
FTRFLUOROTRYPTOPHANEA,B1NF00.75
FTRFLUOROTRYPTOPHANEA2JTZ0.75
FTRFLUOROTRYPTOPHANEA,B1I450.75
FTRFLUOROTRYPTOPHANEA,B2ZNX0.75
FTRFLUOROTRYPTOPHANEA,B1NEY0.75
FTRFLUOROTRYPTOPHANEA,B5FWG0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.77
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.77
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.77
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.77
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHT0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.76
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.76
SROSEROTONINA,B3BRN0.82
SROSEROTONINA2QEH0.82
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one		A2VA50.72
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.73
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.76
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.7
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE		B1UTS0.75
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine		A,B2VUK0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.73
3IL3-(INDOL-3-YL) LACTATEA2A7P0.78
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.76
TRO2-HYDROXY-TRYPTOPHANA1KB00.72
TRO2-HYDROXY-TRYPTOPHANA1G3P0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE		A2G8T0.7
8094-(2-chlorophenyl)-8-(2-hydroxyethyl)-
6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-
dione		A3CR00.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.76
DTRD-TRYPTOPHANA1XY80.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.76
DTRD-TRYPTOPHANA2V7K0.76
DTRD-TRYPTOPHANA,D1CZQ0.76
DTRD-TRYPTOPHANA1DFY0.76
DTRD-TRYPTOPHANA1XY50.76
DTRD-TRYPTOPHANA1NXN0.76
DTRD-TRYPTOPHANA1TKF0.76
DTRD-TRYPTOPHANA1YL90.76
DTRD-TRYPTOPHANA1XXZ0.76
DTRD-TRYPTOPHANA1XY40.76
DTRD-TRYPTOPHANA,D2Q3I0.76
DTRD-TRYPTOPHANA1QFB0.76
DTRD-TRYPTOPHANA1DFZ0.76
DTRD-TRYPTOPHANA1XY90.76
DTRD-TRYPTOPHANA1XY60.76
DTRD-TRYPTOPHANA2SOC0.76
DTRD-TRYPTOPHANA2JUE0.76
DTRD-TRYPTOPHANA1SOC0.76
DTRD-TRYPTOPHANA1YL80.76
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.76
DTRD-TRYPTOPHANA,B2Q330.76
DTRD-TRYPTOPHANA1DG00.76
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.76
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.72
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.72
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.72
LTNL-TRYPTOPHANAMIDEA1MAU0.72
LTNL-TRYPTOPHANAMIDEA,B2QUI0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.74
4IN4-AMINO-L-TRYPTOPHANA1OXF0.74
IP7N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-
2-YLMETHOXY)BENZYL]PYRIDINE-2,3-
DIAMINE		A2OHU0.7
3ID3H-INDOLE-5,6-DIOLA1F9B0.77
3ID3H-INDOLE-5,6-DIOLA1OYO0.77
ASEN-ACETYL SEROTONINA1NAS0.78
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		1MG30.72
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL		A,B,C1PBY0.72
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.78
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.78
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.83
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.83
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.77
0AF7-hydroxy-L-tryptophanL1MAE0.74
0AF7-hydroxy-L-tryptophanL1MAF0.74
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan		A3BKL0.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.85
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.85
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.75
TPLTRYPTOPHANOLA1EE70.83
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.74
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.74
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.79
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.79
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.73
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.71
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.71
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE		E2F7X0.72
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.72
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.73
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.72
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE		A,B154D0.71
710(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-
1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-
2H-1,2,3-TRIAZOL-4-YL)METHANOL		A2HOG0.72
CTE7-CHLOROTRYPTOPHANA2AR80.72
CTE7-CHLOROTRYPTOPHANA2V7L0.72
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.74
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.71
6CW6-CHLORO-L-TRYPTOPHANB2GV20.72
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.72
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.72
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.76
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.78
IOPINDOLYLPROPIONIC ACIDA2OLI0.78
IOPINDOLYLPROPIONIC ACIDA,B2AY50.78
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.79
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.79
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.77
RX3N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-
2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-
L-TRYPTOPHAN		A2OC20.7
INDINDOLEA1L4H0.76
INDINDOLEA,B,G1O7N0.76
INDINDOLEA185L0.76
INDINDOLEA,B1EG90.76
INDINDOLEA,B1UUV0.76
INDINDOLEA,C,E2B240.76
INDINDOLEA,B,C,D,E,F2P850.76