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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00803121

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1SQISOQUINOLIN-1-AMINEA2OHK0.82
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.83
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.82
2AP2-AMINOPYRIDINEA1AEO0.85
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.74
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
3AP3-AMINOPYRIDINEA1AEF0.74
2AQQUINOLIN-2-AMINEA2OHL0.73
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.73
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.72
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.72
2862-ethenyl-1-methylpyridiniumX2RC20.72
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.75
5SC3-((3-bromo-5-o-tolylpyrazolo[1,5-
a]pyrimidin-7-ylamino)methyl)pyridine 1-
oxide
A2R3Q0.7
4AP4-AMINOPYRIDINEA1AEG0.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.74