Complexes after comparative docking

Receptor: model based on 1BS4 chain:B
& 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
2PE_B_10 0.000 4.5 0.36 43.5 NONAETHYLENE GLYCOL 1BS4 Raw