Complexes after comparative docking

Receptor: model based on 3WK7 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
S0D_A_4 0.000 4.0 0.6 91.1 2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-BENZIMIDAZOLE 3WK7 Raw