Complexes after comparative docking

Receptor: model based on 4BDA 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
VFB_A_4 0.000 4.6 0.66 74.0 3,4-DIHYDRO[1,2,4]TRIAZOLO[1,5-A][3,1]BENZIMIDAZOL-9-IUM 4BDA Raw