Complexes after comparative docking

Receptor: model based on 2QWM 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
ADP_B_12 0.000 7.8 1 96.1 ADENOSINE-5 -DIPHOSPHATE 2QWM Raw