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TitleSynthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 405-410, Year 2011
Publish dateOct 22, 2010 (structure data deposition date)
AuthorsSun, D. / Wang, Z. / Caille, S. / DeGraffenreid, M. / Gonzalez-Lopez de Turiso, F. / Hungate, R. / Jaen, J.C. / Jiang, B. / Julian, L.D. / Kelly, R. ...Sun, D. / Wang, Z. / Caille, S. / DeGraffenreid, M. / Gonzalez-Lopez de Turiso, F. / Hungate, R. / Jaen, J.C. / Jiang, B. / Julian, L.D. / Kelly, R. / McMinn, D.L. / Kaizerman, J. / Rew, Y. / Sudom, A. / Tu, H. / Ursu, S. / Walker, N. / Willcockson, M. / Yan, X. / Ye, Q. / Powers, J.P.
External linksBioorg. Med. Chem. Lett. / PubMed:21093258
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-3pdj:
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-3PJ:
N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / 11beta / hydroxysteroid / dehydrogenase / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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