Complexes after comparative docking

Receptor: model based on 3PJ2 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
04K_A_2 0.000 7.7 0.54 78.2 2-({4-[2-(DIETHYLAMINO)ETHOXY]PHENYL}AMINO)-6-(4-FLUOROPHENOXY)-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE 3PJ2 Raw