Complexes after comparative docking

Receptor: model based on 2CES 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
GIM_B_7 0.000 4.2 0.75 97.3 GLUCOIMIDAZOLE 2CES Raw