Complexes after comparative docking

Receptor: model based on 3R5N 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
MLO_A_3 0.000 7.0 0.71 56.6 5,5 -DI(PROP-2-EN-1-YL)BIPHENYL-2,2 -DIOL 3R5N Raw