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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03237669

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.89
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.89
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A3BHJ0.72
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A3BHM0.72
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A1WMA0.72
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL
A2BDJ0.7
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJB0.71
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GJ50.71
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJC0.71
VAR9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-
c]pyrimidin-4-ol
A,B,C,D3BHV0.73
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.73
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
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.78
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.71
RB13-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)METHYL]PHENOL
A2PIQ0.72
QNDQUINALDIC ACIDA,B1IDA0.71
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.76
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.71
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID
A,B1P4R0.73
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.72
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.72
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID
A,B1C3E0.74
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.74
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.74
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.78
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.78
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.78
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.73
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.75
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.72
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE
A1O350.71
Q22(4aS)-5-[(2,4-diaminopteridin-6-
yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-
8-ol
A3D800.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.78
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.78
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI00.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GI80.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GHW0.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI10.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI30.74
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHX0.74
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.74
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI90.7
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GI50.7
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL
A3EN70.72
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL
A2V4L0.72
9772-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-
4-OL
A1RSI0.8
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.71
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.71
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL70.72