Complexes after comparative docking

Receptor: model based on 1UA2 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
ATP_E_5 0.000 5.0 0.86 57.9 ADENOSINE-5 -TRIPHOSPHATE 1UA2 Raw