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: 4-chloranyl-1~{H}-indazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION Authors: O'Reilly, M. Deposit date: 2018-04-10 Release date: 2018-05-30 Last modified: 2024-11-06 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

本数据集通过基于片段的筛选方法，发现一款强效且具备口服生物利用度的、可调控ERK1/2磷酸化与催化活性的抑制剂。描述项：4-氯-1H-吲唑-3-胺（4-chloranyl-1H-indazol-3-amine）、丝裂原活化蛋白激酶1（Mitogen-activated protein kinase 1）、硫酸根离子（SULFATE ION）。作者：O'Reilly, M.。提交日期：2018-04-10。发布日期：2018-05-30。最后修改日期：2024-11-06。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.76埃（Å）。引用文献：《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筛选发现》（Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2），《药物化学杂志》（J. Med. Chem.），第61卷，2018年