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TitleDesign, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 14609-14625, Year 2020
Publish dateApr 1, 2020 (structure data deposition date)
AuthorsRen, H. / Bakas, N.A. / Vamos, M. / Chaikuad, A. / Limpert, A.S. / Wimer, C.D. / Brun, S.N. / Lambert, L.J. / Tautz, L. / Celeridad, M. ...Ren, H. / Bakas, N.A. / Vamos, M. / Chaikuad, A. / Limpert, A.S. / Wimer, C.D. / Brun, S.N. / Lambert, L.J. / Tautz, L. / Celeridad, M. / Sheffler, D.J. / Knapp, S. / Shaw, R.J. / Cosford, N.D.P.
External linksJ. Med. Chem. / PubMed:33200929
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-6yid:
Crystal structure of ULK2 in complex with SBI-0206965
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-EDJ:
2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / kinase inhibitor / ULK2 / autophagy / chemical probe / Structural Genomics / Structural Genomics Consortium / SGC

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