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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02194821

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.73
3MP3-METHYLPYRIDINEA1EUB0.84
3MP3-METHYLPYRIDINEA1BM60.84
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.79
2862-ethenyl-1-methylpyridiniumX2RC20.81
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.72
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.77
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.83
APY2-AMINOMETHYL-PYRIDINEI1IVP0.83
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.79
4AP4-AMINOPYRIDINEA1AEG0.78
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.84
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
3AP3-AMINOPYRIDINEA1AEF0.81
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.73
2AP2-AMINOPYRIDINEA1AEO0.76
2755-amino-1,2-dimethylpyridiniumX2RBW0.83