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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03703226

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.78
3AP3-AMINOPYRIDINEA1AEF0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.74
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.85
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.71
3364-{2-[4-(3,10-DIBROMO-8-CHLORO-
6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-
2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE
B1O5M0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.76
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
6NP6((S)-3-BENZYLPIPERAZIN-1-YL)-3-
(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-
YL)PYRAZINE
A1YQJ0.72
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.74
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.7
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.75
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.71
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
1SQISOQUINOLIN-1-AMINEA2OHK0.73
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.72
880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-
4-YL]-PYRIMIDIN-2-YL}AMINE
A1PMQ0.76
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.81