Complexes after comparative docking

Receptor: model based on 4RAK chain:B
& 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
652_B_7 0.000 12.0 0.8 80.3 2-{2-[2-(2-CHLOROPHENYL)PROPAN-2-YL]-1-[3 -(METHYLSULFONYL)BIPHENYL-4-YL]-1H-IMIDAZOL-4-YL}PROPAN-2-OL 4RAK Raw