Complexes after comparative docking

Receptor: model based on 2W41 chain:B
& 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_B_25 0.000 2.9 0.4 2.9 1,2-ETHANEDIOL 2W41 Raw