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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00643587

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CAU(2S)-1-(9H-Carbazol-4-yloxy)-3-
(isopropylamino)propan-2-ol
A2RH10.71
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID
A1DCY0.74
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.72
AI32,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-
C]ISOQUINOLIN-6-IUM
A,C,D1TL80.8
DRD2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-
NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-
YL)OXY]-2-METHYLPROPANOIC ACID
A2HWR0.71
241(2S)-2-(3-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q5P0.71
8067-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-
4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-
2-CARBOXIMIDAMID
A1QB90.77
TMQTRIMETREXATEA,B,C,D3CLB0.7
TMQTRIMETREXATEA1BZF0.7
TMQTRIMETREXATEA,B,C,D3HBB0.7
2321,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-
C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-
4-YL]-PROPANE
A1C9Z0.75
240(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-
2-METHYL-5-(TRIFLUOROMETHOXY)-1H-
INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
A,B2Q590.7
QUNQUINACRINEA,B1JQE0.72
9912-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2Q0.72
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE
A2OVV0.74
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.73
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.72
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine
A2R7B0.75
DITDITERCALINIUMA1D320.75
900N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8Q0.72
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX90.71
ML2N-[2-(2-iodo-5-methoxy-1H-indol-
3-yl)ethyl]acetamide
A,B2QX80.71
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid
A,B3EWJ0.71
887N-cyclopropyl-6-[(6,7-dimethoxyquinolin-
4-yl)oxy]naphthalene-1-carboxamide
A,B3B8R0.73
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE
A,B1UDU0.78
CIA6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-
2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-
B]INDOLE-1,4-DIONE
A1XOZ0.78
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.79
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide
A,B3E8R0.73
7833-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-5-METHOXY-1,1'-BIPHENYL-2-
OLATE
A1O2T0.77
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.7
T4BA2NNQ0.74
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.77
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.73
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID
A2HWQ0.72
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.71
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.7
1346-FLUORO-2-[2-HYDROXY-3-(2-METHYL-
CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-
5-CARBOXAMIDINE
B1GJ90.74
CR32-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2H0.76
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.7
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.7
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
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
BERBERBERINEA3D6Y0.84
BERBERBERINEA,B,D,E1JUM0.84
BERBERBERINEA,B,D,E3BTI0.84
BERBERBERINEA2QVD0.84
FLDBIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-
1,6-DIAMINE
A,B154D0.76
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.7
VIN12-(2-hydroxyethyl)-2-(1-methylethoxy)-
13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-
c]carbazol-5(12H)-one
A3DTC0.7
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID
A1KNU0.7
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID
A2F4B0.71