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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03483730

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2I0S0.74
TTQ6-AMINO-7-HYDROXY-L-TRYPTOPHAND,H2HXC0.74
8261,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-
9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-
2H-PYRIDO[3,4-B]INDOLE
A,B1I300.7
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.78
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.72
678(3-{5-[AMINO(IMINIO)METHYL]-1H-
INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
A1O3L0.72
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE
A1O350.72
IOGN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-
1H-INDOL-3-YL]ACETAMIDE
A2IOG0.71
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.73
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.72
PLT[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-
PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
B2TYS0.75
4HT4-HYDROXYTRYPTOPHANH,L1RU90.74
4HT4-HYDROXYTRYPTOPHANH,L1RUM0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUL0.74
4HT4-HYDROXYTRYPTOPHANH,L1RUA0.74
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJB0.76
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GJ50.76
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJC0.76
8067-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-
2-CARBOXIMIDAMID
A1QB90.72
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL
A2BDJ0.7
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.75
6NH2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-
3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H2FLB0.71
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3I0.76
9072-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3H0.76
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
A109D0.73
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O380.74
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O370.74
TPLTRYPTOPHANOLA1EE70.7
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.79
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.7
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.7
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.71
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.71
710(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-
1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-
2H-1,2,3-TRIAZOL-4-YL)METHANOL
A2HOG0.71
E964-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-
5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-
BENZENE]
A453D0.71
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
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHY0.77
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
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2OK60.72
1TQ6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAND,H2I0R0.72
CR32-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2H0.72
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.74
1346-FLUORO-2-[2-HYDROXY-3-(2-METHYL-
CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-
5-CARBOXAMIDINE
B1GJ90.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI00.75
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GI80.75
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GHW0.75
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI10.75
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI30.75
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHX0.75
SROSEROTONINA,B3BRN0.78
SROSEROTONINA2QEH0.78
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.73
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.73
IP7N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-
2-YLMETHOXY)BENZYL]PYRIDINE-2,3-
DIAMINE
A2OHU0.7
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.72
SIESULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-
1H-INDOL-6-YL ESTER
A2BRP0.74
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.75
0AF7-hydroxy-L-tryptophanL1MAE0.74
0AF7-hydroxy-L-tryptophanL1MAF0.74
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.75
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.75
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.83
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
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
1MG30.73
TRWTRW3-(2-AMINO-3-HYDROXY-PROPYL)-
6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-
INDOL-7-OL
A,B,C1PBY0.73
TRO2-HYDROXY-TRYPTOPHANA1KB00.74
TRO2-HYDROXY-TRYPTOPHANA1G3P0.74
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3G0.81
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3E0.81
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
H,I1O2G0.81
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
B1O5A0.81
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3F0.81
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL
A303D0.74
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL
A302D0.74
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol
A2RH10.73
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.74
3ID3H-INDOLE-5,6-DIOLA1F9B0.75
3ID3H-INDOLE-5,6-DIOLA1OYO0.75
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.7
ASEN-ACETYL SEROTONINA1NAS0.75
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O390.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3D0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3C0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3A0.73
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3B0.73
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol
A,B,C,D3BHV0.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.73
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.78
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.78
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.78
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.78
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.7
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.7
6EA(1S)-1-(1H-INDOL-3-YLMETHYL)-2-
(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-
5-YLOXY)-EHYLAMINE
E2F7Z0.71
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.71