X-ray co-crystal structure of compound 20 with Mcl-1

X-ray co-crystal structure of compound 20 with Mcl-1 Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, 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 (1.94 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

本数据集为化合物20与髓系细胞白血病诱导分化蛋白Mcl-1（Induced myeloid leukemia cell differentiation protein Mcl-1）的X射线共晶结构。结构描述符：(4S,7aR,9aR,10S,11E,18R)-6'-氯-N-(二甲基磺酰基)-18-羟基-10-甲氧基-15-甲基-16-氧代-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-十四氢-2'H,3H,5H-螺[1,19-(亚乙叉)环丁烷[n][1,4]氧杂吖庚因并[4,3-a][1,8]二氮杂环十六烷-4,1'-萘]-18-甲酰胺。作者：黄X，惠廷顿 D。沉积日期：2019-09-19。发布日期：2019-12-04。最后修改日期：2024-03-13。实验方法：X射线衍射（1.94 Å）。引用文献：《具有α-羟基苯乙酸药效团或生物电子等排体的大环Mcl-1抑制剂的发现及体内评价》，《药物化学杂志》（J.Med.Chem.），第62卷，2019年。