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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012240

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.7
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA		H2FLR0.78
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.73
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.73
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHP0.71
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid		B3C6N0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.78
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.78
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.78
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.78
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.78
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHY0.73
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.77
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID		A2Z3U0.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.75
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.75
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.75
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.75
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.8
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.74
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.74
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE		A1O2T0.71
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE		A,B2IOK0.73
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.72
XMM(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-
1H-INDOL-3-YLOXY)-TETRAHYDRO-6-
(HYDROXYMETHYL)-2H-PYRAN-3,4,5-
TRIOL		A,B,C,D2JE90.72
XMM(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-
1H-INDOL-3-YLOXY)-TETRAHYDRO-6-
(HYDROXYMETHYL)-2H-PYRAN-3,4,5-
TRIOL		A,B,C,D2JEC0.72
XMM(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-
1H-INDOL-3-YLOXY)-TETRAHYDRO-6-
(HYDROXYMETHYL)-2H-PYRAN-3,4,5-
TRIOL		A,B1ZGS0.72
XMM(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-
1H-INDOL-3-YLOXY)-TETRAHYDRO-6-
(HYDROXYMETHYL)-2H-PYRAN-3,4,5-
TRIOL		A2JE70.72
XMM(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-
1H-INDOL-3-YLOXY)-TETRAHYDRO-6-
(HYDROXYMETHYL)-2H-PYRAN-3,4,5-
TRIOL		A2JDZ0.72
BTR6-BROMO-TRYPTOPHANA1WCT0.7
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE		E2F7Z0.75
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.78
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.78
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.71
A535-{5-[(S)-2-AMINO-3-(1H-INDOL-3-
YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-
(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-
1,3-DIHYDRO-INDOL-2-ONE		A2GHG0.71
0AF7-hydroxy-L-tryptophanL1MAE0.81
0AF7-hydroxy-L-tryptophanL1MAF0.81
ASEN-ACETYL SEROTONINA1NAS0.82
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.75
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
IGPINDOLE-3-GLYCEROL PHOSPHATEA1A530.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RHG0.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1KFB0.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B2RH90.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1A5B0.78
IGPINDOLE-3-GLYCEROL PHOSPHATEA,B1QOQ0.78
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.73
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE		E2F7X0.79
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
TPLTRYPTOPHANOLA1EE70.78
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.79
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.79
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.79
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE		A1GI60.77
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.7
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE		B2TYS0.77
SIESULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-
1H-INDOL-6-YL ESTER		A2BRP0.79
4FW4-FLUOROTRYPTOPHANEA1RM90.73
FTRFLUOROTRYPTOPHANEA2JT80.73
FTRFLUOROTRYPTOPHANEA,B1NF00.73
FTRFLUOROTRYPTOPHANEA2JTZ0.73
FTRFLUOROTRYPTOPHANEA,B1I450.73
FTRFLUOROTRYPTOPHANEA,B2ZNX0.73
FTRFLUOROTRYPTOPHANEA,B1NEY0.73
FTRFLUOROTRYPTOPHANEA,B5FWG0.73
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O340.74
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O310.74
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O330.74
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE		A1O320.74
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.7
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.74
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID		A1M4A0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.77
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.77
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.74
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.77
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.77
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.79
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.79
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3I0.72
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE		A1O3H0.72
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.71
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.81
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T		2VUM0.81
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.81
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide		A,B2QX90.74
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide		A,B2QX80.74
2MI2-METHYL-1H-INDOLEA2PIO0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.72
LTNL-TRYPTOPHANAMIDEA,B2QUI0.72
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.7
IP7N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-
2-YLMETHOXY)BENZYL]PYRIDINE-2,3-
DIAMINE		A2OHU0.72
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.73
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE		B1UTS0.76
SS3(2S)-1-{[5-(3-METHYL-1H-INDAZOL-
5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-
2-AMINE		A2UZT0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.73
4IN4-AMINO-L-TRYPTOPHANA1OXF0.73
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.75
IOPINDOLYLPROPIONIC ACIDA2OLI0.75
IOPINDOLYLPROPIONIC ACIDA,B2AY50.75
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.75
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.75
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.75
3ID3H-INDOLE-5,6-DIOLA1F9B0.85
3ID3H-INDOLE-5,6-DIOLA1OYO0.85
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.72
3IL3-(INDOL-3-YL) LACTATEA2A7P0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3G0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3E0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		H,I1O2G0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		B1O5A0.76
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3F0.76
6CW6-CHLORO-L-TRYPTOPHANB2GV20.7
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.7
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.7
SROSEROTONINA,B3BRN0.85
SROSEROTONINA2QEH0.85
IOS3-SULFOOXY-1H-INDOLEA,B2BXH1
INDINDOLEA1L4H0.79
INDINDOLEA,B,G1O7N0.79
INDINDOLEA185L0.79
INDINDOLEA,B1EG90.79
INDINDOLEA,B1UUV0.79
INDINDOLEA,C,E2B240.79
INDINDOLEA,B,C,D,E,F2P850.79
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.76
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.79
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.79
TRO2-HYDROXY-TRYPTOPHANA1KB00.73
TRO2-HYDROXY-TRYPTOPHANA1G3P0.73
39Z5-HYDROXY-3-[(1R)-1-(1H-PYRROL-
2-YL)ETHYL]-2H-INDOL-2-ONE		A2PE00.73
792N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-
5-methyl-D-tryptophan		A,B,C,D3G420.71
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDS0.72
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDR0.72
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		A2JDV0.72
L20(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-
METHYL-1H-INDAZOL-5-YL)PYRIDIN-
3-YL]OXY}PROPAN-2-AMINE		E2UZU0.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.78
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.78
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
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		1MG30.74
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL		A,B,C1PBY0.74
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.77
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol		A2RH10.74
4HT4-HYDROXYTRYPTOPHANH,L1RU90.81
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.81
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.81
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.81