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TitleDiscovery of Potent, Selective and CNS-Penetrant Apoptosis Signal-regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation in Vivo
Journal, issue, pagesTo Be Published
Publish dateMay 14, 2021 (structure data deposition date)
AuthorsChodaparambil, J.V.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.298 Å
Structure data

PDB-7mu7:
Ask1 bound to compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.298 Å

Chemicals

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

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-RFG:
3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / ASK1 / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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