9C94

Crystal structure of menin in complex with inhibitor compound 20

これはPDB形式変換不可エントリーです。

9C94 の概要

• エントリーDOI: 10.2210/pdb9c94/pdb
• 関連するPDBエントリー: 9C92 9C93
• 分子名称: Menin, {5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]phenyl}[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]methanone (3 entities in total)
• 機能のキーワード: protein binding, protein binding-inhibitor complex, protein binding/inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 115066.22

構造登録者

Bester, S.M.,Wu, W.-I.,Mou, T.-C. (登録日: 2024-06-13, 公開日: 2025-01-15)

• 主引用文献: Chapsal, B.D.,Kimbrough, J.R.,Bester, S.M.,Bergstrom, A.,Backos, D.S.,Campos, B.,McDonald, M.G.,Abrahamsen, R.,Allen, A.C.,Doerner Barbour, P.M.,Bettendorf, T.,Boys, M.L.,Brown, K.,Chicarelli, M.J.,Cook, A.W.,Crooks, A.L.,Cruz, C.L.,Dahlke, J.R.,Eide, A.,Fell, J.B.,Fulton, J.L.,Gargus, M.,Gaudino, J.J.,Guarnieri, A.L.,Hansen, E.P.,Holt, M.C.,Kahn, D.R.,Laird, E.R.,Larsen, P.D.,Linwood, R.,Martinson, M.C.,McCown, J.,Mejia, M.J.,Moreno, D.A.,Mou, T.C.,Newhouse, B.,O’Leary, J.M.,Rodriguez, M.E.,Singh, A.,Sinik, L.,Strand, K.A.,Touney, E.E.,Wollenberg, L.A.,Wong, J.,Zhou, Y.,Fischer, J.P.,Allen, S.; Design of Potent Menin-KMT2A Interaction Inhibitors with Improved In Vitro ADME Properties and Reduced hERG Affinity; Acs Med.Chem.Lett., 2024; DOI: 10.1021/acsmedchemlett.4c00311

実験手法

X-RAY DIFFRACTION (1.98 Å)