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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01864572

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1722-AMINO-5-HYDROXY-BENZIMIDAZOLEA1FV90.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O340.7
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O310.7
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O330.7
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O320.7
9772-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-
4-OL
A1RSI0.86
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
A109D0.72
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O380.7
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O370.7
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL
A303D0.71
RO23-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-
1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-
BENZIMIDAZOL-2-YL]-PHENOL
A302D0.71
RW14-phenylpyrimidineA,B,C3B9S0.73
RRCR-ROSCOVITINEA,B,C,D3DDQ0.71
RRCR-ROSCOVITINEA1YGK0.71
RRCR-ROSCOVITINEA1UNL0.71
RRCR-ROSCOVITINEA2A4L0.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.7
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQ00.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3E0B0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A2KGK0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3CSE0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQO0.72
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.7
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.76
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol
A,B,C,D3BHV0.77
CK64-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-
5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL
A1PXN0.71
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.71
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL
A2BDJ0.73
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHY0.72
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.72
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.72
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL
A3EN70.76
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL
A2V4L0.76
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.74
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
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0B0.7
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0U0.7
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJB0.72
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GJ50.72
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJC0.72
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHT0.72
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.7
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.7
CK53-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YLAMINO]-PHENOL
A1PXM0.7
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE
A1O350.71
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.74
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.74
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A3BHJ0.76
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A3BHM0.76
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A1WMA0.76
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.75
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.75
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.83
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.83
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.71
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.71
RB13-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)METHYL]PHENOL
A2PIQ0.76
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.74
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.7
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.7
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.77