Complexes after comparative docking

Receptor: model based on 3RRO 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_22 0.000 2.6 0.47 24.2 1,2-ETHANEDIOL 3RRO Raw