Complexes after comparative docking

Receptor: model based on 4GVF 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
NDG_B_5 0.000 3.3 0.72 100.0 SUGAR (2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE) 4GVF Raw