Complexes after comparative docking

Receptor: model based on 4AYX 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
ACP_A_4 0.000 5.7 0.82 85.3 PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER 4AYX Raw