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TitleDiscovery of Tetrasubstituted Quinazolin-4(3 H )-ones as Wild-type-sparing, Highly Selective PI3K alpha H1047R Inhibitors
Journal, issue, pagesJ. Med. Chem., Year 2026
Publish dateSep 25, 2025 (structure data deposition date)
AuthorsChen, C. / Holmes, R. / Carter, J. / Maity, S. / Pawley, S. / Stahl, N. / Crossan, A. / Rager, J. / Juvekar, A. / Wang, M. ...Chen, C. / Holmes, R. / Carter, J. / Maity, S. / Pawley, S. / Stahl, N. / Crossan, A. / Rager, J. / Juvekar, A. / Wang, M. / Xu, C. / Kuskovsky, R. / Sivakumar, M. / Gallagher, K. / Leal, R. / Geeganage, S. / Scherle, P. / Combs, A. / Buesking, A.
External linksJ. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution3.61 Å
Structure data

PDB-9yf2:
Crystal structure of PI3Ka H1047R mutant in complex with PRT7140 in allosteric pocket
Method: X-RAY DIFFRACTION / Resolution: 3.61 Å

Chemicals

PDB-1cv8:
STAPHOPAIN, CYSTEINE PROTEINASE FROM STAPHYLOCOCCUS AUREUS V8

ChemComp-X3N:
N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN / PI3Ka / P110-P85 complex / H1047R mutant

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