Complexes after comparative docking

Receptor: model based on 1RYS 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_A_13 0.000 2.6 0.54 80.2 ADENOSINE-5 -TRIPHOSPHATE 1RYS Raw