Complexes after comparative docking

Receptor: model based on 3D1F 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
323_P_5 Error Error nan 0.0 2-[3,6-BIS(DIMETHYLAMINO)XANTHEN-9-YL]-5-METHANOYL-BENZOATE 3D1F Raw