Complexes after comparative docking

Receptor: model based on 4H2J 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
0YU_A_3 0.000 5.4 0.64 10.0 N~4~-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]-N~1~-[4-(1H-IMIDAZOL-2-YL)PHENYL]-2-NITROBENZENE-1,4-DICARBOXAMIDE 4H2J Raw