Complexes after comparative docking

Receptor: model based on 3G8C 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_7 0.000 6.3 1 87.6 ADENOSINE-5 -DIPHOSPHATE 3G8C Raw