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TitleDesign, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Journal, issue, pagesBioorg. Med. Chem., Vol. 26, Page 5443-5461, Year 2018
Publish dateMar 14, 2018 (structure data deposition date)
AuthorsBeyett, T.S. / Gan, X. / Reilly, S.M. / Gomez, A.V. / Chang, L. / Tesmer, J.J.G. / Saltiel, A.R. / Showalter, H.D.
External linksBioorg. Med. Chem. / PubMed:30270002
MethodsX-ray diffraction
Resolution3.19 - 3.354 Å
Structure data

PDB-6cq0:
TBK1 in Complex with Dimethyl Amino Analog of Amlexanox
Method: X-RAY DIFFRACTION / Resolution: 3.19 Å

PDB-6cq4:
TBK1 in Complex with Cyclohexyl Analog of Amlexanox
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

PDB-6cq5:
TBK1 in Complex with Sulfone Analog of Amlexanox
Method: X-RAY DIFFRACTION / Resolution: 3.354 Å

Chemicals

ChemComp-F8M:
2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid

ChemComp-F8P:
2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid

ChemComp-F8S:
2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TBK1 / kinase / amlexanox

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