Complexes after comparative docking

Receptor: model based on 4A7C chain:A
& 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
E46_A_2 0.000 6.4 0.62 58.4 N-(PIPERIDIN-4-YLMETHYL)-3-[3-(TRIFLUOROMETHYLOXY)PHENYL]-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE 4A7C Raw