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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03341689

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
3AP3-AMINOPYRIDINEA1AEF0.77
2862-ethenyl-1-methylpyridiniumX2RC20.8
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.71
4AP4-AMINOPYRIDINEA1AEG0.83
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.7
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.91
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.91
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.91
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.75
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.8
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.78
2AP2-AMINOPYRIDINEA1AEO0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.73