Complexes after comparative docking

Receptor: model based on 3EZV 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
EZV_A_2 0.000 7.0 0.76 90.9 4-{3-[7-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]-1H-INDAZOL-6-YL}ANILINE 3EZV Raw