Complexes after comparative docking

Receptor: model based on 2QMJ 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
ACR_A_2 0.000 5.8 0.82 96.0 SUGAR (ACARBOSE) 2QMJ Raw