4DW6

Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.

4DW6 の概要

• エントリーDOI: 10.2210/pdb4dw6/pdb
• 分子名称: HTH-type transcriptional regulator EthR, N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide, AMMONIUM ION, ... (5 entities in total)
• 機能のキーワード: tetr-family, transcritptional regulatory repressor, inhibitor, dna binding protein, transcription repressor-inhibitor complex, transcription-inhibitor complex, transcription/inhibitor
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 26637.85

構造登録者

Flipo, M.,Willand, N.,Lecat-Guillet, N.,Hounsou, C.,Desroses, M.,Leroux, F.,Lens, Z.,Villeret, V.,Wohlkonig, A.,Wintjens, R.,Christophe, T.,Jeon, H.K.,Locht, C.,Brodin, P.,Baulard, A.R.,Deprez, B. (登録日: 2012-02-24, 公開日: 2013-03-27, 最終更新日: 2024-02-28)

• 主引用文献: Flipo, M.,Willand, N.,Lecat-Guillet, N.,Hounsou, C.,Desroses, M.,Leroux, F.,Lens, Z.,Villeret, V.,Wohlkonig, A.,Wintjens, R.,Christophe, T.,Kyoung Jeon, H.,Locht, C.,Brodin, P.,Baulard, A.R.,Deprez, B.; Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.; J.Med.Chem., 55:6391-6402, 2012; PubMed: 22738293; DOI: 10.1021/jm300377g

実験手法

X-RAY DIFFRACTION (2 Å)