Complexes after comparative docking

Receptor: model based on 4F66 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
BG6_B_7 0.000 5.4 0.84 100.0 SUGAR (BETA-D-GLUCOSE-6-PHOSPHATE) 4F66 Raw