Complexes after comparative docking

Receptor: model based on 1PE7 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
4BR_A_7 0.000 2.7 0.49 73.4 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE 1PE7 Raw