7N2A

human PXR LBD bound to compound 2

7N2A の概要

• エントリーDOI: 10.2210/pdb7n2a/pdb
• 分子名称: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, 5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one (3 entities in total)
• 機能のキーワード: nuclear receptor, helical sandwich, xenobiotics, gene regulation
• 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: 34602.03

構造登録者

Williams, S.P.,Wisely, G.B.,Ramanjulu, J.M. (登録日: 2021-05-28, 公開日: 2021-08-25, 最終更新日: 2023-10-18)

• 主引用文献: Ramanjulu, J.M.,Williams, S.P.,Lakdawala, A.S.,DeMartino, M.P.,Lan, Y.,Marquis, R.W.; Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.; Acs Med.Chem.Lett., 12:1396-1404, 2021; PubMed: 34531948; DOI: 10.1021/acsmedchemlett.1c00187

実験手法

X-RAY DIFFRACTION (2.26 Å)