Complexes after comparative docking

Receptor: model based on 4EK5 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
03K_A_2 0.000 3.1 0.59 26.9 N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZENE-1,4-DICARBOXAMIDE 4EK5 Raw