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TitleStructure-guided optimization of a novel class of ASK1 inhibitors with increased sp3character and an exquisite selectivity profile.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127405-127405, Year 2020
Publish dateJun 19, 2020 (structure data deposition date)
AuthorsBigi-Botterill, S.V. / Ivetac, A. / Bradshaw, E.L. / Cole, D. / Dougan, D.R. / Ermolieff, J. / Halkowycz, P. / Johnson, B. / McBride, C. / Pickens, J. ...Bigi-Botterill, S.V. / Ivetac, A. / Bradshaw, E.L. / Cole, D. / Dougan, D.R. / Ermolieff, J. / Halkowycz, P. / Johnson, B. / McBride, C. / Pickens, J. / Sabat, M. / Swann, S.
External linksBioorg. Med. Chem. Lett. / PubMed:32738982
MethodsX-ray diffraction
Resolution2.65 Å
Structure data

PDB-6xih:
Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-V3S:
(2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsMETAL BINDING PROTEIN / TRANSFERASE / METAL-BINDING / APOPTOSIS / Serine/threonine kinase

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