Complexes after comparative docking

Receptor: model based on 3H3N chain:O
& 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
EDO_O_10 0.000 2.2 0.59 18.8 1,2-ETHANEDIOL 3H3N Raw
GOL_O_8 0.000 3.5 0.7 0.0 GLYCEROL 3H3N Raw