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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00837496

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA		A2GHM0.73
C2M5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-
2,4-DIAMINE		A,B2AOV0.73
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol		A,B,C,D3BHV0.74
RB13-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)METHYL]PHENOL		A2PIQ0.74
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.71
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.74
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		A1O2S0.74
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE		B1P570.74
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQ00.75
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3E0B0.75
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A2KGK0.75
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3CSE0.75
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQO0.75
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL		A,B2AOU0.74
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE		A,B,C,D2IW60.71
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine		A,C2W710.7
LIB3-(2-CHLOROPHENYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA		A2GHL0.7
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.73
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine		A,B3BLA0.78
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQV0.73
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQZ0.73
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.71
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL		A,B2QGW0.72
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE		A1O350.73
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A3BHJ0.75
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A3BHM0.75
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A1WMA0.75
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol		A3D800.71
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL		A3EN70.74
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL		A2V4L0.74
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.71
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0B0.72
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0U0.72
9772-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-
4-OL		A1RSI0.79
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O390.7
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3D0.7
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3C0.7
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3A0.7
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE		A1O3B0.7
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.71
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.73
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.81
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.81
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A2BLA0.75
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A2BL90.75
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE		A,B,C,D1J3J0.75
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHQ0.72
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI40.77
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI20.77
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
5AP5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-
2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-
4-AMINE		A,B1RWQ0.75
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL90.73
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.74
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL		X2A0C0.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.73
48B2-chloro-N-[4-({5-fluoro-2-[(4-
hydroxyphenyl)amino]pyrimidin-4-
yl}amino)phenyl]benzamide		A3H0Y0.71
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
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O2N0.74
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O2M0.74
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE		A1O2L0.74
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJB0.73
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GJ50.73
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GJC0.73
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL		A2HK50.72
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI00.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		B1GI80.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I1GHW0.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI10.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		A1GI30.77
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE		H,I,L1GHX0.77
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		B1GI90.72
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE		A1GI50.72