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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03124089

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AP3-AMINOPYRIDINEA1AEF0.72
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.79
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.8
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.71
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.76
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.85
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.74
4AP4-AMINOPYRIDINEA1AEG0.77
1SQISOQUINOLIN-1-AMINEA2OHK0.73
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.74
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.79
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.7
2862-ethenyl-1-methylpyridiniumX2RC20.7