Complexes after comparative docking

Receptor: model based on 3GHZ 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
GOL_A_4 0.000 3.3 0.65 0.0 GLYCEROL 3GHZ Raw