Complexes after comparative docking

Receptor: model based on 1NS7 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
BGC_B_4 0.000 3.6 0.68 82.3 SUGAR (GLUCOSE) 1NS7 Raw