Complexes after comparative docking

Receptor: model based on 4EK4 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
1CK_A_2 0.000 3.4 0.48 15.7 4-BROMO-N-(5-METHYL-1H-PYRAZOL-3-YL)BENZAMIDE 4EK4 Raw