Complexes after comparative docking

Receptor: model based on 3AIW 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 3.1 0.47 49.1 SUGAR (2-DEOXY-2FLUORO-GLUCOSE) 3AIW Raw