Complexes after comparative docking

Receptor: model based on 1OIN 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
G2F_A_3 0.000 2.8 0.46 70.6 SUGAR (2-DEOXY-2-FLUORO-ALPHA-D-GLUCOPYRANOSE) 1OIN Raw