Complexes after comparative docking

Receptor: model based on 1ICJ chain:C
& 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
2PE_C_11 0.000 5.5 0.57 42.3 NONAETHYLENE GLYCOL 1ICJ Raw