6O3Z

Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)

6O3Z の概要

• エントリーDOI: 10.2210/pdb6o3z/pdb
• 分子名称: RAR-related orphan receptor C isoform a variant, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: retinoic acid receptor-related orphan receptor gt, rorgt, protein binding
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32036.99

構造登録者

Min, X.,Wang, Z. (登録日: 2019-02-27, 公開日: 2020-03-04, 最終更新日: 2024-03-13)

• 主引用文献: Nakajima, R.,Oono, H.,Sugiyama, S.,Matsueda, Y.,Ida, T.,Kakuda, S.,Hirata, J.,Baba, A.,Makino, A.,Matsuyama, R.,White, R.D.,Wurz, R.P.,Shin, Y.,Min, X.,Guzman-Perez, A.,Wang, Z.,Symons, A.,Singh, S.K.,Mothe, S.R.,Belyakov, S.,Chakrabarti, A.,Shuto, S.; Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.; Acs Med.Chem.Lett., 11:528-534, 2020; PubMed: 32292560; DOI: 10.1021/acsmedchemlett.9b00649

実験手法

X-RAY DIFFRACTION (2.4 Å)