Complexes after comparative docking

Receptor: model based on 3BA9 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_8 0.000 3.1 0.48 0.0 GLYCEROL 3BA9 Raw