Complexes after comparative docking

Receptor: model based on 5DGX 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
ADP_A_2 0.000 6.8 0.88 95.5 ADENOSINE-5 -DIPHOSPHATE 5DGX Raw