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TitleDiscovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 6391-6402, Year 2012
Publish dateFeb 24, 2012 (structure data deposition date)
AuthorsFlipo, M. / Willand, N. / Lecat-Guillet, N. / Hounsou, C. / Desroses, M. / Leroux, F. / Lens, Z. / Villeret, V. / Wohlkonig, A. / Wintjens, R. ...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.
External linksJ. Med. Chem. / PubMed:22738293
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-4dw6:
Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-0MN:
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide

ChemComp-NH4:
AMMONIUM ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSCRIPTION/INHIBITOR / TETR-FAMILY / TRANSCRITPTIONAL REGULATORY REPRESSOR / INHIBITOR / DNA BINDING PROTEIN / TRANSCRIPTION REPRESSOR-INHIBITOR COMPLEX / TRANSCRIPTION-INHIBITOR complex

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