Complexes after comparative docking

Receptor: model based on 3EJ1 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
5BP_A_5 0.000 5.9 0.66 86.1 N-CYCLOPROPYL-4-PYRAZOLO[1,5-B]PYRIDAZIN-3-YLPYRIMIDIN-2-AMINE 3EJ1 Raw