X-ray co-crystal structure of compound 3 bound to human Mcl-1

X-ray co-crystal structure of compound 3 bound to human Mcl-1 Descriptor: (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 Authors: Huang, X, Whittington, D. Deposit date: 2019-09-19 Release date: 2019-12-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere. J.Med.Chem., 62, 2019

与人类诱导性髓系细胞白血病分化蛋白Mcl-1（Induced myeloid leukemia cell differentiation protein Mcl-1）结合的化合物3的X射线共晶结构。描述符：(4S,7aR,9aR,10S,11E,14S,15R)-6'-氯-10-羟基-14,15-二甲基-3',4',7a,8,9,9a,10,13,14,15-十氢-2'H,3H,5H-螺[1,19-(亚乙基)-16λ⁶-环丁并[i][1,4]氧杂吖庚因并[3,4-f][1,2,7]噻二氮杂环十六碳烯-4,1'-萘]-16,16,18(7H,17H)-三酮。作者：Huang X、Whittington D。提交日期：2019年9月19日。发布日期：2019年12月4日。最后修改日期：2024年3月13日。检测方法：X射线衍射（1.35埃）。引用文献：《具有α-羟基苯乙酸药效团或生物等排体的大环Mcl-1抑制剂的发现与体内评价》，《药物化学杂志（J. Med. Chem.）》，2019年，第62卷。