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TitleDiscovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
Journal, issue, pagesJ Enzyme Inhib Med Chem, Vol. 38, Page 398-404, Year 2023
Publish dateApr 9, 2022 (structure data deposition date)
AuthorsLuo, Y. / Li, J. / Zong, Y. / Sun, M. / Zheng, W. / Zhu, J. / Liu, L. / Liu, B.
External linksJ Enzyme Inhib Med Chem / PubMed:36476046
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-7xhq:
Small-molecule Allosteric Regulation Mechanism of SHP2
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-FIZ:
2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN/INHIBITOR / phosphatase / ONCOPROTEIN-INHIBITOR COMPLEX

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