Complexes after comparative docking

Receptor: model based on 3AIN chain:C
& 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_C_15 0.000 2.5 0.48 62.8 (4R)-2-METHYLPENTANE-2,4-DIOL 3AIN Raw