Complexes after comparative docking

Receptor: model based on 4U17 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_6 0.000 3.2 0.44 0.8 1,2-ETHANEDIOL 4U17 Raw