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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03827625

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
2AP2-AMINOPYRIDINEA1AEO0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.71
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
3AP3-AMINOPYRIDINEA1AEF0.75
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.71
2862-ethenyl-1-methylpyridiniumX2RC20.76
1SQISOQUINOLIN-1-AMINEA2OHK0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
4AP4-AMINOPYRIDINEA1AEG0.77
3MP3-METHYLPYRIDINEA1EUB0.82
3MP3-METHYLPYRIDINEA1BM60.82
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.7
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.81
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.78
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72