Complexes after comparative docking

Receptor: model based on 3ZNS chain:C
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
NU7_C_18 0.000 6.8 0.55 30.6 N-{[1-METHYL-4-(4-PHENYL-1,3-THIAZOL-2-YL)PIPERIDIN-4-YL]METHYL}-3-[5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOL-3-YL]BENZAMIDE 3ZNS Raw