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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01871797

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
2755-amino-1,2-dimethylpyridiniumX2RBW0.78
4PPC,L1XKA0.71
4PPA,B,C,D1XKB0.71
2AP2-AMINOPYRIDINEA1AEO0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.82
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
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
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.78
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.71
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.87
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.81
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE
A,B2IGY0.73
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.77
3AP3-AMINOPYRIDINEA1AEF0.79
5171-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-
YL)ETHYL]-2H-INDOL-5-YL}UREA
A2PE10.72
2862-ethenyl-1-methylpyridiniumX2RC20.77
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
4AP4-AMINOPYRIDINEA1AEG0.85
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72