6CN6

RORC2 LBD complexed with compound 34

6CN6 の概要

• エントリーDOI: 10.2210/pdb6cn6/pdb
• 分子名称: Nuclear receptor ROR-gamma, 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide (3 entities in total)
• 機能のキーワード: nuclear receptor, signaling protein
• 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: 30404.01

構造登録者

Kauppi, B.,Vajdos, F. (登録日: 2018-03-07, 公開日: 2018-09-05, 最終更新日: 2024-03-06)

• 主引用文献: Schnute, M.E.,Wennerstal, M.,Alley, J.,Bengtsson, M.,Blinn, J.R.,Bolten, C.W.,Braden, T.,Bonn, T.,Carlsson, B.,Caspers, N.,Chen, M.,Choi, C.,Collis, L.P.,Crouse, K.,Farnegardh, M.,Fennell, K.F.,Fish, S.,Flick, A.C.,Goos-Nilsson, A.,Gullberg, H.,Harris, P.K.,Heasley, S.E.,Hegen, M.,Hromockyj, A.E.,Hu, X.,Husman, B.,Janosik, T.,Jones, P.,Kaila, N.,Kallin, E.,Kauppi, B.,Kiefer, J.R.,Knafels, J.,Koehler, K.,Kruger, L.,Kurumbail, R.G.,Kyne Jr., R.E.,Li, W.,Lofstedt, J.,Long, S.A.,Menard, C.A.,Mente, S.,Messing, D.,Meyers, M.J.,Napierata, L.,Noteberg, D.,Nuhant, P.,Pelc, M.J.,Prinsen, M.J.,Rhonnstad, P.,Backstrom-Rydin, E.,Sandberg, J.,Sandstrom, M.,Shah, F.,Sjoberg, M.,Sundell, A.,Taylor, A.P.,Thorarensen, A.,Trujillo, J.I.,Trzupek, J.D.,Unwalla, R.,Vajdos, F.F.,Weinberg, R.A.,Wood, D.C.,Xing, L.,Zamaratski, E.,Zapf, C.W.,Zhao, Y.,Wilhelmsson, A.,Berstein, G.; Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.; J. Med. Chem., 61:10415-10439, 2018; PubMed: 30130103; DOI: 10.1021/acs.jmedchem.8b00392

実験手法

X-RAY DIFFRACTION (2.45 Å)