| Literature DB >> 19406641 |
Christopher D Cox1, Georgia B McGaughey, Michael J Bogusky, David B Whitman, Richard G Ball, Christopher J Winrow, John J Renger, Paul J Coleman.
Abstract
NMR spectroscopy, X-ray crystallography, and molecular modeling studies indicate that N,N-disubstituted-1,4-diazepane orexin receptor antagonists exist in an unexpected low-energy conformation that is characterized by an intramolecular pi-stacking interaction and a twist-boat ring conformation. Synthesis and evaluation of a macrocycle that enforces a similar conformation suggest that this geometry mimics the bioactive conformation.Entities:
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Year: 2009 PMID： 19406641 DOI： 10.1016/j.bmcl.2009.04.026
Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823