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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00834202

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.76
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.72
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide
A3BAA0.7
1IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1N0.72
3JZN-methyl-N-{2-[({2-[(2-oxo-2,3-
dihydro-1H-indol-5-yl)amino]-5-
(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
A3FZR0.71
3BI(2S)-2-{[(R)-[(3R)-3-carboxy-3-
{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
A3BI10.73
2IG6-ETHYL-5-[9-(3-METHOXYPROPYL)-
9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-
DIAMINE
A,B2G1O0.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.73
2AQQUINOLIN-2-AMINEA2OHL0.75
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID
A1RWN0.73
5MB5-METHYLBENZIMIDAZOLEA1JHM0.7
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.7
354N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-
6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-
L-GLUTAMIC ACID
A,B1P4R0.71
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione
A,B2RGU0.73
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2OFV0.74
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.75
1SQISOQUINOLIN-1-AMINEA2OHK0.72
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.71
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE
A,B2OG80.74