Complexes after comparative docking

Receptor: model based on 4DFK 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 9.2 0.52 2.5 5 -d(GACCACGGCGC DOC)-3 4DFK Raw