Complexes after comparative docking

Receptor: model based on 1QFE 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
DHS_B_4 0.000 4.6 0.48 93.3 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE 1QFE Raw