Complexes after comparative docking

Receptor: model based on 2XNE 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
ASH_A_2 0.000 6.6 0.63 75.3 3-CHLORO-N-(4-MORPHOLIN-4-YLPHENYL)-6-PYRIDIN-3-YLIMIDAZO[1,2-A]PYRAZIN-8-AMINE 2XNE Raw