Complexes after comparative docking

Receptor: model based on 3F07 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
AGE_A_8 0.000 4.3 0.51 77.6 (2E)-N-HYDROXY-3-[1-METHYL-4-(PHENYLACETYL)-1H-PYRROL-2-YL]PROP-2-ENAMIDE 3F07 Raw