Complexes after comparative docking

Receptor: model based on 3PO9 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
XPT_A_3 0.000 4.6 0.6 49.1 1-[CHLORO(DIPROPYL)-LAMBDA~4~-SULFANYL]PROPANE 3PO9 Raw