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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03022806

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1SQISOQUINOLIN-1-AMINEA2OHK0.82
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.81
2AQQUINOLIN-2-AMINEA2OHL0.73
3AP3-AMINOPYRIDINEA1AEF0.75
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.75
2AP2-AMINOPYRIDINEA1AEO0.83
2862-ethenyl-1-methylpyridiniumX2RC20.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.73
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.75
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide
A3BAB0.72
2SC(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-
a]pyrimidin-3-yl)methanol
A2R3O0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76