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TitleIsoquinoline Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-like 2 (KEAP1-NRF2) Inhibitors with High Metabolic Stability.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 6547-6560, Year 2020
Publish dateSep 23, 2019 (structure data deposition date)
AuthorsLazzara, P.R. / David, B.P. / Ankireddy, A. / Richardson, B.G. / Dye, K. / Ratia, K.M. / Reddy, S.P. / Moore, T.W.
External linksJ. Med. Chem. / PubMed:31682434
MethodsX-ray diffraction
Resolution1.96 Å
Structure data

PDB-6uf0:
Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinolin-1-yl)-N-((4-methoxyphenyl)sulfonyl)glycine bound to human Keap1 Kelch domain
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

Chemicals

ChemComp-Q5V:
N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine

ChemComp-FMT:
FORMIC ACID

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-NA:
Unknown entry

ChemComp-Q5Y:
N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Protein-protein interaction inhibitor / Keap1 / Nrf2 activator

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