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TitleDiscovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 4997-5010, Year 2020
Publish dateApr 22, 2020 (structure data deposition date)
AuthorsXu, S. / Aguilar, A. / Huang, L. / Xu, T. / Zheng, K. / McEachern, D. / Przybranowski, S. / Foster, C. / Zawacki, K. / Liu, Z. ...Xu, S. / Aguilar, A. / Huang, L. / Xu, T. / Zheng, K. / McEachern, D. / Przybranowski, S. / Foster, C. / Zawacki, K. / Liu, Z. / Chinnaswamy, K. / Stuckey, J. / Wang, S.
External linksJ. Med. Chem. / PubMed:32338903
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-6wnh:
Menin bound to inhibitor M-808
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-7MM:
methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate

ChemComp-7PR:
praseodymium triacetate

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Inhibitor / PROTEIN BINDING

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