Complexes after comparative docking

Receptor: model based on 1DVR 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
ATF_A_3 0.000 8.9 1 71.6 PHOSPHODIFLUOROMETHYLPHOSPHONIC ACID-ADENYLATE ESTER 1DVR Raw