Tri-complex of Compound-5, KRAS G12C, and CypA

Tri-complex of Compound-5, KRAS G12C, and CypA Descriptor: (3R)-N-[(2S)-1-{[(1M,8R,10S,14S,21M)-22-ethyl-4-hydroxy-21-[2-(2-methoxyethyl)phenyl]-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), GTPase KRas, MAGNESIUM ION, ... Authors: Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. Deposit date: 2024-04-18 Release date: 2025-03-05 Last modified: 2025-04-09 Method: X-RAY DIFFRACTION (1.8 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5、KRAS G12C和亲环素A（CypA）的三元复合物 描述：(3R)-N-[(2S)-1-{[(1M,8R,10S,14S,21M)-22-乙基-4-羟基-21-[2-(2-甲氧基乙基)苯基]-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（非推荐命名）、GTP酶KRas、镁离子等 作者：Tomlinson, A.C.A、Saldajeno-Concar, M、Knox, J.E、Yano, J.K. 提交日期：2024-04-18 发布日期：2025-03-05 最后修改日期：2025-04-09 实验方法：X射线衍射（1.8埃分辨率） 引用文献：《埃利罗塞布（Elironrasib，RMC-6291）的发现：一款强效口服生物可利用、靶向RAS(ON) G12C的共价三元复合物抑制剂，用于治疗RAS G12C驱动型癌症患者》，《药物化学杂志》（J.Med.Chem.），2025年，第68卷