Complexes after comparative docking

Receptor: model based on 1AKE 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
AP5_A_3 0.000 14.1 1 93.3 BIS(ADENOSINE)-5 -PENTAPHOSPHATE 1AKE Raw