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)

Summary for 6O3Z

• Entry DOI: 10.2210/pdb6o3z/pdb
• Descriptor: 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)
• Functional Keywords: retinoic acid receptor-related orphan receptor gt, rorgt, protein binding
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 32036.99

Authors

Min, X.,Wang, Z. (deposition date: 2019-02-27, release date: 2020-03-04, Last modification date: 2024-03-13)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.4 Å)