Complexes after comparative docking

Receptor: model based on 2ZK6 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
C08_A_3 0.000 7.5 0.65 52.8 DIFLUORO(5-{2-[(5-OCTYL-1H-PYRROL-2-YL-KAPPAN)METHYLIDENE]-2H-PYRROL-5-YL-KAPPAN}PENTANOATO)BORON 2ZK6 Raw