Complexes after comparative docking

Receptor: model based on 3Q9X 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
EMO_A_3 0.000 6.2 0.59 55.0 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE 3Q9X Raw