Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14
收藏Protein Data Bank Japan2024-01-31 更新2026-03-21 收录
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Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... Authors: Selvam, I.R. Deposit date: 2021-03-01 Release date: 2022-02-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
结核分枝杆菌（Mycobacterium tuberculosis）细胞色素P450（Cytochrome P450）CYP121与先导化合物14的复合物
配体组成：2-(N-吗啉代)乙磺酸（2-(N-MORPHOLINO)-ETHANESULFONIC ACID）、4-[4-[2-(1H-吲哚-3-基)乙基]嘧啶-2-基]吗啉、氯离子（CHLORIDE ION）……
作者：Selvam, I.R.
提交日期：2021-03-01
发布日期：2022-02-02
末次修改日期：2024-01-31
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.6 Å
引用文献：命中物发现新策略：联合X射线晶体学与表型筛选方法（XP筛选）开发结核分枝杆菌来源的CYP121A1新型细胞内活性抑制剂。Eur.J.Med.Chem., 230, 2022
创建时间：
2021-03-01
