6N0Q

BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.

6N0Q の概要

• エントリーDOI: 10.2210/pdb6n0q/pdb
• 分子名称: Serine/threonine-protein kinase B-raf, N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide (3 entities in total)
• 機能のキーワード: raf, braf, craf, craf kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64678.57

構造登録者

Mamo, M.,Appleton, B.A. (登録日: 2018-11-07, 公開日: 2019-10-23, 最終更新日: 2024-03-13)

• 主引用文献: Ramurthy, S.,Taft, B.R.,Aversa, R.J.,Barsanti, P.A.,Burger, M.T.,Lou, Y.,Nishiguchi, G.A.,Rico, A.,Setti, L.,Smith, A.,Subramanian, S.,Tamez, V.,Tanner, H.,Wan, L.,Hu, C.,Appleton, B.A.,Mamo, M.,Tandeske, L.,Tellew, J.E.,Huang, S.,Yue, Q.,Chaudhary, A.,Tian, H.,Iyer, R.,Hassan, A.Q.,Mathews Griner, L.A.,La Bonte, L.R.,Cooke, V.G.,Van Abbema, A.,Merritt, H.,Gampa, K.,Feng, F.,Yuan, J.,Mishina, Y.,Wang, Y.,Haling, J.R.,Vaziri, S.,Hekmat-Nejad, M.,Polyakov, V.,Zang, R.,Sethuraman, V.,Amiri, P.,Singh, M.,Sellers, W.R.,Lees, E.,Shao, W.,Dillon, M.P.,Stuart, D.D.; Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.; J.Med.Chem., 63:2013-2027, 2020; PubMed: 31059256; DOI: 10.1021/acs.jmedchem.9b00161

実験手法

X-RAY DIFFRACTION (2.04 Å)