Complexes after comparative docking

Receptor: model based on 3RRO 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_10 0.000 2.6 0.46 24.2 1,2-ETHANEDIOL 3RRO Raw