Complexes after comparative docking

Receptor: model based on 4NHJ 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
NACID_D_4 0.000 3.6 0.28 15.4 5 -D(*CP*AP*GP*GP*GP*AP*GP*TP*AP*AP*CP*GP*GP*AP*AP*TP*GP*TP*AP*CP*AP*AP*C)-3 4NHJ Raw