4QM0

Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist

4QM0 の概要

• エントリーDOI: 10.2210/pdb4qm0/pdb
• 分子名称: Nuclear receptor ROR-gamma, N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• 機能のキーワード: nuclear receptor ligand binding domain, transcription-transcription inhibitor complex, transcription/transcription inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (Probable): P51449
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 59194.67

構造登録者

Boenig, G.,Hymowitz, S.G.,Wang, W. (登録日: 2014-06-14, 公開日: 2014-09-17, 最終更新日: 2024-02-28)

• 主引用文献: Fauber, B.P.,Rene, O.,de Leon Boenig, G.,Burton, B.,Deng, Y.,Eidenschenk, C.,Everett, C.,Gobbi, A.,Hymowitz, S.G.,Johnson, A.R.,La, H.,Liimatta, M.,Lockey, P.,Norman, M.,Ouyang, W.,Wang, W.,Wong, H.; Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists.; Bioorg.Med.Chem.Lett., 24:3891-3897, 2014; PubMed: 25017032; DOI: 10.1016/j.bmcl.2014.06.048

実験手法

X-RAY DIFFRACTION (2.195 Å)