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TitleCarboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition.
Journal, issue, pagesMol. Pharmacol., Vol. 94, Page 1210-1219, Year 2018
Publish dateJun 15, 2017 (structure data deposition date)
AuthorsBeyett, T.S. / Gan, X. / Reilly, S.M. / Chang, L. / Gomez, A.V. / Saltiel, A.R. / Showalter, H.D. / Tesmer, J.J.G.
External linksMol. Pharmacol. / PubMed:30082428
MethodsX-ray diffraction
Resolution3.197 - 3.645 Å
Structure data

PDB-5w5v:
TBK1 co-crystal structure with amlexanox
Method: X-RAY DIFFRACTION / Resolution: 3.645 Å

PDB-6bny:
TBK1 in complex with tetrazole analog of amlexanox
Method: X-RAY DIFFRACTION / Resolution: 3.341 Å

PDB-6bod:
TBK1 in complex with ethyl ester analog of amlexanox
Method: X-RAY DIFFRACTION / Resolution: 3.197 Å

PDB-6boe:
TBK1 in complex with amide-coupled tetrazole analog of amlexanox
Method: X-RAY DIFFRACTION / Resolution: 3.598 Å

Chemicals

ChemComp-ANW:
2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid / antiinflammatory*YM

ChemComp-E0M:
2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one

ChemComp-E0P:
ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate

ChemComp-E0S:
2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TBK1 / kinase / amlexanox / obesity / diabetes / TRANSFERASE/INHIBITOR / TRANSFERASE-INHIBITOR complex

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