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Structure paper

TitleMolecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality.
Journal, issue, pagesAcs Cent. Sci., Vol. 10, Page 1156-1166, Year 2024
Publish dateSep 27, 2022 (structure data deposition date)
AuthorsLi, Z. / Jiang, J. / Ficarro, S.B. / Beyett, T.S. / To, C. / Tavares, I. / Zhu, Y. / Li, J. / Eck, M.J. / Janne, P.A. ...Li, Z. / Jiang, J. / Ficarro, S.B. / Beyett, T.S. / To, C. / Tavares, I. / Zhu, Y. / Li, J. / Eck, M.J. / Janne, P.A. / Marto, J.A. / Zhang, T. / Che, J. / Gray, N.S.
External linksAcs Cent. Sci. / PubMed:38947214
MethodsX-ray diffraction
Resolution3.32 Å
Structure data

PDB-8eme:
EGFR(T790M/V948R) in complex with ZNL-0056
Method: X-RAY DIFFRACTION / Resolution: 3.32 Å

Chemicals

ChemComp-ZNL:
N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / EGFR / kinase / covalent / inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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