Complexes after comparative docking

Receptor: model based on 4MG6 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
27G_A_5 0.000 5.5 0.64 62.8 BENZYL BUTYL BENZENE-1,2-DICARBOXYLATE 4MG6 Raw