Complexes after comparative docking

Receptor: model based on 4A69 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
I0P_D_18 0.000 2.5 0.83 0.7 D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE 4A69 Raw