Department of Medicinal Chemistry, Merck Research Laboratories, Kenilworth, NJ 07033, USA.
Bioorg Med Chem Lett. 2010 Mar 15;20(6):1877-80. doi: 10.1016/j.bmcl.2010.01.148. Epub 2010 Feb 4.
We disclose inhibitors of TNF-alpha converting enzyme (TACE) designed around a hydantoin zinc binding moiety. Crystal structures of inhibitors bound to TACE revealed monodentate coordination of the hydantoin to the zinc. SAR, X-ray, and modeling designs are described. To our knowledge, these are the first reported X-ray structures of TACE with a hydantoin zinc ligand.
我们公开了围绕海因环锌结合部分设计的 TNF-α 转化酶（TACE）抑制剂。与 TACE 结合的抑制剂的晶体结构显示海因环与锌呈单齿配位。描述了 SAR、X 射线和建模设计。据我们所知，这些是首次报道的含有海因环锌配体的 TACE X 射线结构。
