3Q96

B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor

3Q96 の概要

• エントリーDOI: 10.2210/pdb3q96/pdb
• 分子名称: Serine/threonine-protein kinase B-raf, (2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (2 entities in total)
• 機能のキーワード: design, optimization, potent, orally bioavailable, tetrahydronaphthalene, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus : P15056
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 65377.60

構造登録者

Sintchak, M.D.,Aertgeerts, K.,Yano, J. (登録日: 2011-01-07, 公開日: 2011-03-23, 最終更新日: 2024-02-21)

• 主引用文献: Gould, A.E.,Adams, R.,Adhikari, S.,Aertgeerts, K.,Afroze, R.,Blackburn, C.,Calderwood, E.F.,Chau, R.,Chouitar, J.,Duffey, M.O.,England, D.B.,Farrer, C.,Forsyth, N.,Garcia, K.,Gaulin, J.,Greenspan, P.D.,Guo, R.,Harrison, S.J.,Huang, S.C.,Iartchouk, N.,Janowick, D.,Kim, M.S.,Kulkarni, B.,Langston, S.P.,Liu, J.X.,Ma, L.T.,Menon, S.,Mizutani, H.,Paske, E.,Renou, C.C.,Rezaei, M.,Rowland, R.S.,Sintchak, M.D.,Smith, M.D.,Stroud, S.G.,Tregay, M.,Tian, Y.,Veiby, O.P.,Vos, T.J.,Vyskocil, S.,Williams, J.,Xu, T.,Yang, J.J.,Yano, J.,Zeng, H.,Zhang, D.M.,Zhang, Q.,Galvin, K.M.; Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.; J.Med.Chem., 54:1836-1846, 2011; PubMed: 21341678; DOI: 10.1021/jm101479y

実験手法

X-RAY DIFFRACTION (3.1 Å)