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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03022818

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5MB5-METHYLBENZIMIDAZOLEA1JHM0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.8
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.81
3AP3-AMINOPYRIDINEA1AEF0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
2AP2-AMINOPYRIDINEA1AEO0.83
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.73
2862-ethenyl-1-methylpyridiniumX2RC20.73
2AQQUINOLIN-2-AMINEA2OHL0.71
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.73
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide
A3BAB0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76
4AP4-AMINOPYRIDINEA1AEG0.73