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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02564465

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.76
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL
A2BDJ0.77
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.74
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.74
9772-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-
4-OL
A1RSI0.72
D943-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-
1-(2-phenylquinolin-7-yl)imidazo[1,5-
a]pyrazin-8-amine
A3D940.7
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.81
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM
A,B1QCJ0.7
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.76
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI00.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GI80.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GHW0.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI10.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI30.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHX0.73
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3K0.75
3342-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-BROMO-4-METHYLBENZENOLATE
A1O3J0.75
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O380.71
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O370.71
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZM0.74
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.73
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.73
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
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.71
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.71
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHY0.71
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,E,I,L,P3E8E0.73
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E8D0.73
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.77
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,C,D,E,F3E8C0.73
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E880.73
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