Complexes after comparative docking

Receptor: model based on 3PJ1 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
LHL_A_2 0.000 7.6 0.5 85.5 3-(2,6-DICHLOROPHENYL)-7-({4-[2-(DIETHYLAMINO)ETHOXY]PHENYL}AMINO)-1-METHYL-3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE 3PJ1 Raw