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TitleDiscovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 485-490, Year 2020
Publish dateFeb 7, 2020 (structure data deposition date)
AuthorsXin, Z. / Himmelbauer, M.K. / Jones, J.H. / Enyedy, I. / Gilfillan, R. / Hesson, T. / King, K. / Marcotte, D.J. / Murugan, P. / Santoro, J.C. / Gonzalez-Lopez de Turiso, F.
External linksAcs Med. Chem. Lett. / PubMed:32292554
MethodsX-ray diffraction
Resolution2.29 Å
Structure data

PDB-6vre:
Structure of ASK1 bound to BIO-1772961
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

Chemicals

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

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 / ASK1 / Kinase domain

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