Complexes after comparative docking

Receptor: model based on 3JS3 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
DHS_A_5 0.000 4.4 0.49 93.3 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE 3JS3 Raw