Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2

Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2 Descriptor: (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-methylphenyl)-2-oxidanyl-ethyl]propanamide, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-11 Release date: 2018-05-30 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J. Med. Chem., 61, 2018

基于片段的药物发现：一种可调控ERK1/2（细胞外调节蛋白激酶1/2）磷酸化与催化活性的强效口服生物可利用抑制剂。化合物表征：(2R)-2-[5-[5-氯-2-(四氢-2H-吡喃-4-基氨基)嘧啶-4-基]-3-氧代-1H-异吲哚-2-基]-N-[(1S)-1-(3-甲基苯基)-2-羟基乙基]丙酰胺、丝裂原活化蛋白激酶1（Mitogen-activated protein kinase 1）、硫酸根离子（SULFATE ION）。作者：奥赖利（O'Reilly, M.）。存入日期：2018年4月11日。发布日期：2018年5月30日。最后修改日期：2024年10月9日。检测方法：X射线衍射（分辨率1.76埃）。引用文献：《可调控ERK1/2磷酸化与催化活性的强效口服生物可利用抑制剂的片段基发现》，J. Med. Chem., 61卷, 2018年。