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ID: ALA1147626

Journal: Bioorg Med Chem Lett

Title: Determination of the stable conformation of GABA(A)-benzodiazepine receptor bivalent ligands by low temperature NMR and X-ray analysis.

Authors: Han D, Försterling FH, Li X, Deschamps JR, Cao H, Cook JM.

Abstract: The stable conformations of GABA(A)-benzodiazepine receptor bivalent ligands 2 and 3 were determined by low temperature NMR spectroscopy and confirmed by single crystal X-ray analysis. The linear conformation was important for these dimers to access the binding site and exhibit potent in vitro affinity as illustrated for alpha5 subtype selective ligand 2 (15 nM). Bivalent ligand 3 with the 5 atom linker folded back upon itself both in solution and in the solid state, moreover, it did not bind to Bz receptors.

CiteXplore: 15006383

DOI: 10.1016/j.bmcl.2004.01.018