4DW6

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

Summary for 4DW6

Entry DOI	10.2210/pdb4dw6/pdb
Descriptor	HTH-type transcriptional regulator EthR, N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide, AMMONIUM ION, ... (5 entities in total)
Functional Keywords	tetr-family, transcritptional regulatory repressor, inhibitor, dna binding protein, transcription repressor-inhibitor complex, transcription-inhibitor complex, transcription/inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	1
Total formula weight	26637.85
Authors	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. (deposition date: 2012-02-24, release date: 2013-03-27, Last modification date: 2024-02-28)
Primary citation	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 Cited by PubMed: 22738293 DOI: 10.1021/jm300377g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation