2j14

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3,4,5-TRISUBSTITUTED ISOXAZOLES AS NOVEL PPARDELTA AGONISTS: PART2

File:2j14.gif


2j14, resolution 2.80Å

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OverviewOverview

A series of PPARdelta-selective agonists was investigated and optimized, for a favorable in vivo pharmacokinetic profile. Isoxazole LCI765 (17d), was found to be a potent and selective PPARdelta agonist with good in vivo, PK properties in mouse (C(max)=5.1 microM, t(1/2)=3.1 h). LCI765 regulated, expression of genes involved in energy homeostasis in relevant tissues, when dosed orally in C57BL6 mice. A co-crystal structure of compound, LCI765 and the LBD of PPARdelta is discussed.

About this StructureAbout this Structure

2J14 is a [Single protein] structure of sequence from [Homo sapiens] with GNI as [ligand]. Full crystallographic information is available from [OCA].

ReferenceReference

3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists. Part 2., Epple R, Azimioara M, Russo R, Xie Y, Wang X, Cow C, Wityak J, Karanewsky D, Bursulaya B, Kreusch A, Tuntland T, Gerken A, Iskandar M, Saez E, Martin Seidel H, Tian SS, Bioorg Med Chem Lett. 2006 Nov 1;16(21):5488-92. Epub 2006 Aug 22. PMID:16931011

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