Complexes after comparative docking

Receptor: model based on 3SI9 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 2.2 0.55 11.8 1,2-ETHANEDIOL 3SI9 Raw