Complexes after comparative docking

Receptor: model based on 2YJD chain:B
& 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
YJD_B_6 0.000 6.8 0.67 70.8 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL 2YJD Raw