Complexes after comparative docking

Receptor: model based on 4IWC 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
1GV_B_6 0.000 7.7 0.7 100.0 4,4 -THIENE-2,5-DIYLBIS(3-METHYLPHENOL) 4IWC Raw