Complexes after comparative docking

Receptor: model based on 4C8O 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_B_2 0.000 9.6 0.18 0.6 5 -D(*GP*CP*CP*AP*CP*GP*GP*CP*GP*CP*LHOP)-3 4C8O Raw