Complexes after comparative docking

Receptor: model based on 4EFE 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
0OV_A_5 0.000 7.0 0.64 85.1 [4-AMINO-2-{[(1S,2R)-2-METHYLCYCLOHEXYL]OXY}-5-OXOPYRIDO[2,3-D]PYRIMIDIN-8(5H)-YL]ACETONITRILE 4EFE Raw