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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03063390

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.83
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.73
3AP3-AMINOPYRIDINEA1AEF0.74
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.71
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.72
1SQISOQUINOLIN-1-AMINEA2OHK0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.75
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.76
2862-ethenyl-1-methylpyridiniumX2RC20.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.78
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.82
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.77
2AP2-AMINOPYRIDINEA1AEO0.71
4AP4-AMINOPYRIDINEA1AEG0.75
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.72