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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012948

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
3AP3-AMINOPYRIDINEA1AEF0.7
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.77
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.74
2862-ethenyl-1-methylpyridiniumX2RC20.71
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.79
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.74
QUI2-CARBOXYQUINOXALINEA1PFE0.85
QUI2-CARBOXYQUINOXALINEA,B2DA80.85
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.85
QUI2-CARBOXYQUINOXALINEA1VS20.85
QUI2-CARBOXYQUINOXALINEA1XVN0.85
QUI2-CARBOXYQUINOXALINEA,B185D0.85
QUI2-CARBOXYQUINOXALINEA1XVK0.85
QUI2-CARBOXYQUINOXALINEA,C1XVR0.85
QUI2-CARBOXYQUINOXALINEA,B3GO30.85