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• W3005996474 startingPage "561" @default.
• W3005996474 abstract "Abstract The demand for allosteric targeting of nuclear receptors is high, but examples are limited, and structural information is scarce. The retinoic acid‐related orphan receptor gamma t (RORγt) is an important transcriptional regulator for the differentiation of T helper 17 cells for which the first, and some of the most promising, examples of allosteric nuclear receptor modulation have been reported and structurally proven. In a 2015 patent, filed by the pharmaceutical company Glenmark, a new class of small molecules was reported that act as potent inverse agonists for RORγt. A compound library around the central thienopyrazole scaffold captured a clear structure‐activity relationship, but the binding mechanism of this new class of RORγt modulators has not been elucidated. Using a combination of biochemical and X‐ray crystallography studies, here the allosteric mechanism for the inverse agonism for the most potent compound, classified in the patent as “example 13”, is reported, providing a strongly desired additional example of allosteric nuclear receptor targeting." @default.
• W3005996474 created "2020-02-24" @default.
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• W3005996474 date "2020-03-12" @default.
• W3005996474 modified "2023-09-28" @default.
• W3005996474 title "Elucidation of an Allosteric Mode of Action for a Thienopyrazole RORγt Inverse Agonist" @default.
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• W3005996474 doi "https://doi.org/10.1002/cmdc.202000044" @default.
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• W3005996474 hasPublicationYear "2020" @default.
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