Complexes after comparative docking

Receptor: model based on 4H8U chain:B
& 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
TEU_B_6 0.000 3.1 0.73 81.0 1-O-ALPHA-D-GLUCOPYRANOSYL-D-FRUCTOSE 4H8U Raw