Complexes after comparative docking

Receptor: model based on 3RAE 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
NACID_H_8 0.000 2.9 0.6 0.0 5 -D(P*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*G)-3 3RAE Raw