Complexes after comparative docking

Receptor: model based on 4AW2 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
EDO_A_5 0.000 2.3 0.4 31.1 1,2-ETHANEDIOL 4AW2 Raw