Complexes after comparative docking

Receptor: model based on 3DMO 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
MRD_B_11 0.000 2.9 0.44 40.4 (4R)-2-METHYLPENTANE-2,4-DIOL 3DMO Raw