Complexes after comparative docking

Receptor: model based on 4QBI 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_8 0.000 15.4 1 91.1 BIS(ADENOSINE)-5 -PENTAPHOSPHATE 4QBI Raw