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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02644627

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.73
170(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-
2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-
2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE
A,B1SL30.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.81
1SQISOQUINOLIN-1-AMINEA2OHK0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.76
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.81
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
2862-ethenyl-1-methylpyridiniumX2RC20.73
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.83
3AP3-AMINOPYRIDINEA1AEF0.76
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.86
4AP4-AMINOPYRIDINEA1AEG0.74
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.72