Complexes after comparative docking

Receptor: model based on 3PIY 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
585_A_2 0.000 7.8 0.57 57.5 6-({5-FLUORO-2-[(3,4,5-TRIMETHOXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE 3PIY Raw