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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02255561

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1SQISOQUINOLIN-1-AMINEA2OHK0.82
2AQQUINOLIN-2-AMINEA2OHL0.72
2AP2-AMINOPYRIDINEA1AEO0.84
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.82
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.74
26DPYRIDINE-2,6-DIAMINEA2ANZ0.77
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.75
2862-ethenyl-1-methylpyridiniumX2RC20.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.7
3AP3-AMINOPYRIDINEA1AEF0.76
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.78
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.73
4AP4-AMINOPYRIDINEA1AEG0.74
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide
A3BAB0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72