2irw

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File:2irw.gif


2irw, resolution 3.100Å

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Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor

OverviewOverview

A novel class of adamantane ethers 11beta-hydroxysteroid hydrogenase type I inhibitors has been discovered. These compounds have excellent HSD-1 potency and selectivity against HSD-2. The structure-activity relationships, selectivity, metabolism, PK, ex vivo pharmacodynamic data, and an X-ray crystal structure of one of these inhibitors bound to h-HSD-1 are discussed.

DiseaseDisease

Known diseases associated with this structure: Cortisone reductase deficiency OMIM:[600713]

About this StructureAbout this Structure

2IRW is a Single protein structure of sequence from Homo sapiens with and as ligands. Active as 11-beta-hydroxysteroid dehydrogenase, with EC number 1.1.1.146 Full crystallographic information is available from OCA.

ReferenceReference

Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation., Patel JR, Shuai Q, Dinges J, Winn M, Pliushchev M, Fung S, Monzon K, Chiou W, Wang J, Pan L, Wagaw S, Engstrom K, Kerdesky FA, Longenecker K, Judge R, Qin W, Imade HM, Stolarik D, Beno DW, Brune M, Chovan LE, Sham HL, Jacobson P, Link JT, Bioorg Med Chem Lett. 2007 Feb 1;17(3):750-5. Epub 2006 Oct 28. PMID:17110106

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