7JTW

Crystal structure of RORgt with compound (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid

Summary for 7JTW

• Entry DOI: 10.2210/pdb7jtw/pdb
• Descriptor: RAR-related orphan receptor C isoform a variant, (4R)-6-[(2,5-dichloro-3-{[(2R,4R)-1-(cyclopentanecarbonyl)-2-methylpiperidin-4-yl]oxy}phenyl)amino]-6-oxo-4-phenylhexanoic acid, GLYCEROL, ... (5 entities in total)
• Functional Keywords: nuclear receptor, nuclear protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 32149.89

Authors

Min, X.,Wang, Z. (deposition date: 2020-08-18, release date: 2021-02-03, Last modification date: 2023-10-18)

• Primary citation: Nakajima, R.,Oono, H.,Kumazawa, K.,Ida, T.,Hirata, J.,White, R.D.,Min, X.,Guzman-Perez, A.,Wang, Z.,Symons, A.,Singh, S.K.,Mothe, S.R.,Belyakov, S.,Chakrabarti, A.,Shuto, S.; Discovery of 6-Oxo-4-phenyl-hexanoic acid derivatives as ROR gamma t inverse agonists showing favorable ADME profile.; Bioorg.Med.Chem.Lett., 36:127786-127786, 2021; PubMed: 33493627; DOI: 10.1016/j.bmcl.2021.127786

Experimental method

X-RAY DIFFRACTION (1.9 Å)