4HFR

Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017.

Summary for 4HFR

• Entry DOI: 10.2210/pdb4hfr/pdb
• Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid, ... (4 entities in total)
• Functional Keywords: alpha beta, rossmann fold, nadp, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Endoplasmic reticulum membrane ; Single-pass type II membrane protein : P28845
• Total number of polymer chains: 2
• Total formula weight: 62075.10

Authors

Ogg, D.J.,Gerhardt, S.,Hargreaves, D. (deposition date: 2012-10-05, release date: 2012-10-17, Last modification date: 2023-09-20)

• Primary citation: Scott, J.S.,Bowker, S.S.,Deschoolmeester, J.,Gerhardt, S.,Hargreaves, D.,Kilgour, E.,Lloyd, A.,Mayers, R.M.,McCoull, W.,Newcombe, N.J.,Ogg, D.,Packer, M.J.,Rees, A.,Revill, J.,Schofield, P.,Selmi, N.,Swales, J.G.,Whittamore, P.R.; Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017); J.Med.Chem., 55:5951-5964, 2012; PubMed: 22691057; DOI: 10.1021/jm300592r

Experimental method

X-RAY DIFFRACTION (2.73 Å)