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TitleNovel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 10136-10147, Year 2012
Publish dateMar 6, 2014 (structure data deposition date)
AuthorsScott, J.S. / deSchoolmeester, J. / Kilgour, E. / Mayers, R.M. / Packer, M.J. / Hargreaves, D. / Gerhardt, S. / Ogg, D.J. / Rees, A. / Selmi, N. ...Scott, J.S. / deSchoolmeester, J. / Kilgour, E. / Mayers, R.M. / Packer, M.J. / Hargreaves, D. / Gerhardt, S. / Ogg, D.J. / Rees, A. / Selmi, N. / Stocker, A. / Swales, J.G. / Whittamore, P.R.
External linksJ. Med. Chem. / PubMed:23088558
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-4p38:
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-21T:
4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Alpha Beta / Rossmann fold / NADP / Oxidoreductase-Oxidoreductase inhibitor complex

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