Complexes after comparative docking

Receptor: model based on 2PMK 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
128_A_2 0.000 7.2 0.77 95.7 SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O ,3O -METHYLENE-ADENINE-TRIPHOSPHATE 2PMK Raw