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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02210484

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2E15-(5-CHLORO-2,4-DIHYDROXYPHENYL)-
N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-
3-CARBOXAMIDE
A2CCT0.71
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.7
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.7
P3FPHOSPHORIC ACID MONO-(5-HYDROXY-
6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-
BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-
PYRIDIN-3-YLMETHYL)ESTER
A,B2FQ60.71
48B2-chloro-N-[4-({5-fluoro-2-[(4-
hydroxyphenyl)amino]pyrimidin-4-
yl}amino)phenyl]benzamide
A3H0Y0.73
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.74
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol
A,B3EKO0.71
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XOQ0.72
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XMU0.72
R96N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH70.73
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.71
I1H3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-
4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-
4-YL)METHYL]BENZAMIDE
B2BMG0.7
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
B1GJD0.72
R94N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-
1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-
3-YL)ISONICOTINAMIDE
A1XH60.74
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XM40.73
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XON0.73
R55N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-
1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH80.73
2D7N-(4-ACETYLPHENYL)-5-(5-CHLORO-
2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-
4-CARBOXAMIDE
A2BYH0.73
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBT0.73
UN9N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2HBU0.73
BDEN'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDEA,B,C,D,E,F2GLP0.73
I04N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZOYLAMINO]-
AZEPAN-3-YL}ISONICOTINAMIDE
A1SVG0.7
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.71
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE
A1XHA0.72
R68N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-
2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-
3-YL}ISONICOTINAMIDE
A,B1XH50.72
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH40.76
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE
A1XH90.76