Tri-complex of Compound-14, KRAS G12C, and CypA

Tri-complex of Compound-14, KRAS G12C, and CypA Descriptor: (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... Authors: Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. Deposit date: 2024-04-18 Release date: 2024-06-12 Last modified: 2025-04-09 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Discovery of Elironrasib (RMC-6291), a Potent and Orally Bioavailable, RAS(ON) G12C-Selective, Covalent Tricomplex Inhibitor for the Treatment of Patients with RAS G12C-Addicted Cancers. J.Med.Chem., 68, 2025化合物14、KRAS G12C和亲环蛋白A（CypA）的三元复合物。描述物：(3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-乙基-4-羟基-21-{2-[(1R)-1-甲氧基乙基]吡啶-3-基}-18,18-二甲基-9,15-二氧代-16-氧杂-10,22,28-三氮杂五环[18.5.2.1~2,6~.1~10,14~.0~23,27~]二十九碳-1(25),2(29),3,5,20,23,26-七烯-8-基]氨基}-3-甲基-1-氧代丁-2-基]-N-甲基-1-丙酰基吡咯烷-3-甲酰胺（非优选命名）、氯离子、GTP酶KRAS…… 作者：Tomlinson, A.C.A、Saldajeno-Concar, M、Knox, J.E、Yano, J.K。存放日期：2024-04-18，发布日期：2024-06-12，最后修改日期：2025-04-09。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.26埃（Å）。引用文献：《Elironrasib（RMC-6291）的发现：一种强效且口服生物可利用的、靶向RAS激活态G12C的选择性共价三元复合物抑制剂，用于治疗RAS G12C成瘾性癌症患者》，《J.Med.Chem.》，2025年，第68卷