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Structure paper

TitleSynthesis and Evaluation of Noncovalent Naphthalene-Based KEAP1-NRF2 Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 521-527, Year 2020
Publish dateDec 6, 2019 (structure data deposition date)
AuthorsLazzara, P.R. / Jain, A.D. / Maldonado, A.C. / Richardson, B. / Skowron, K.J. / David, B.P. / Siddiqui, Z. / Ratia, K.M. / Moore, T.W.
External linksAcs Med. Chem. Lett. / PubMed:32292559
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-6v6z:
Crystal structure of N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine bound to human Keap1 Kelch domain
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-FMT:
FORMIC ACID

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

ChemComp-NA:
Unknown entry

ChemComp-DTD:
DITHIANE DIOL

ChemComp-DTT:
2,3-DIHYDROXY-1,4-DITHIOBUTANE

ChemComp-HOH:
WATER

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

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