Complexes after comparative docking

Receptor: model based on 1KT8 chain:B
& 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
ILP_B_4 0.000 7.0 0.79 84.6 N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE 1KT8 Raw