Complexes after comparative docking

Receptor: model based on 1BWF chain:Y
& 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
ATF_Y_5 0.000 5.9 0.97 87.0 PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER 1BWF Raw