Complexes after comparative docking

Receptor: model based on 1ANK 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
AMP_A_3 0.000 7.9 1 45.5 ADENOSINE MONOPHOSPHATE 1ANK Raw
ANP_A_4 0.000 10.5 1 85.8 PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 1ANK Raw