Tri-complex of Compound-10, KRAS G12V, and CypA

Tri-complex of Compound-10, KRAS G12V, and CypA Descriptor: (1S,2R)-N-[(1P,7S,9S,13S,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... Authors: Tomlinson, A.C.A, Bieder, R, Chen, A, Knox, J.E, Yano, J.K. Deposit date: 2024-04-18 Release date: 2025-03-19 Last modified: 2025-04-09 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Discovery of Daraxonrasib (RMC-6236), a Potent and Orally Bioavailable RAS(ON) Multi-selective, Noncovalent Tri-complex Inhibitor for the Treatment of Patients with Multiple RAS-Addicted Cancers. J.Med.Chem., 68, 2025化合物10、KRAS G12V与亲环素A（CypA）的三元复合物 描述：(1S,2R)-N-[(1P,7S,9S,13S,20M)-21-乙基-20-{2-[(1S)-1-甲氧基乙基]吡啶-3-基}-17,17-二甲基-8,14-二氧代-15-氧杂-4-硫杂-9,21,27,28-四氮杂五环[17.5.2.1~2,5~.1~9,13~.0~22,26~]二十八碳-1(24),2,5(28),19,22,25-六烯-7-基]-2-甲基环丙烷-1-甲酰胺（非优选命名）、GTP酶KRas、镁离子…… 作者：Tomlinson, A.C.A、Bieder, R、Chen, A、Knox, J.E、Yano, J.K. 入库日期：2024-04-18；发布日期：2025-03-19；最后修改日期：2025-04-09 实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.64埃（Å） 引用文献：《达拉沙塞布（Daraxonrasib，RMC-6236）的发现：一种强效且口服生物可利用的RAS(ON)多选择性非共价三元复合物抑制剂，用于治疗多种RAS成瘾性癌症患者》，《J. Med. Chem.》，68卷，2025年