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TitleDesign, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 6314-6318, Year 2011
Publish dateAug 10, 2011 (structure data deposition date)
AuthorsYamashita, T. / Kamata, M. / Endo, S. / Yamamoto, M. / Kakegawa, K. / Watanabe, H. / Miwa, K. / Yamano, T. / Funata, M. / Sakamoto, J. ...Yamashita, T. / Kamata, M. / Endo, S. / Yamamoto, M. / Kakegawa, K. / Watanabe, H. / Miwa, K. / Yamano, T. / Funata, M. / Sakamoto, J. / Tani, A. / Mol, C.D. / Zou, H. / Dougan, D.R. / Sang, B. / Snell, G. / Fukatsu, K.
External linksBioorg. Med. Chem. Lett. / PubMed:21944854
MethodsX-ray diffraction
Resolution2.41 Å
Structure data

PDB-3tdc:
Crystal Structure of Human Acetyl-CoA carboxylase 2
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

Chemicals

ChemComp-0EU:
1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLIGASE/LIGASE INHIBITOR / biotin / malonyl-CoA / carboxylase / LIGASE-LIGASE INHIBITOR complex

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