Complexes after comparative docking

Receptor: model based on 2VRJ 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
NCW_A_3 0.000 5.4 0.61 58.7 (1S,2R,3S,4R,5R)-2,3,4-TRIHYDROXY-N-OCTYL-6-OXA-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOTHIOAMIDE 2VRJ Raw