Complexes after comparative docking

Receptor: model based on 3QQH 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
X0A_A_6 0.000 7.0 0.71 57.0 2-[4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL]-4-CHLOROPHENOL 3QQH Raw