Complexes after comparative docking

Receptor: model based on 3EID 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
PO5_A_5 0.000 7.1 0.63 78.9 (2S)-1-(DIMETHYLAMINO)-3-(4-{[4-(6-MORPHOLIN-4-YLPYRAZOLO[1,5-B]PYRIDAZIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL 3EID Raw