Complexes after comparative docking

Receptor: model based on 3HPQ 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
AP5_B_4 0.000 14.2 1 91.7 BIS(ADENOSINE)-5 -PENTAPHOSPHATE 3HPQ Raw