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TitleDiscovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 14540-14556, Year 2021
Publish dateMay 11, 2021 (structure data deposition date)
AuthorsRej, R.K. / Wang, C. / Lu, J. / Wang, M. / Petrunak, E. / Zawacki, K.P. / McEachern, D. / Yang, C.Y. / Wang, L. / Li, R. ...Rej, R.K. / Wang, C. / Lu, J. / Wang, M. / Petrunak, E. / Zawacki, K.P. / McEachern, D. / Yang, C.Y. / Wang, L. / Li, R. / Chinnaswamy, K. / Wen, B. / Sun, D. / Stuckey, J.A. / Zhou, Y. / Chen, J. / Tang, G. / Wang, S.
External linksJ. Med. Chem. / PubMed:34613724
MethodsX-ray diffraction
Resolution1.9 - 2.2 Å
Structure data

PDB-7msb:
Structure of EED bound to EEDi-4259
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-7msd:
Structure of EED bound to EEDi-6068
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-ZNG:
(9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one

ChemComp-HOH:
WATER

ChemComp-ZMY:
(9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one

ChemComp-FMT:
FORMIC ACID

Source
  • homo sapiens (human)
KeywordsGENE REGULATION/INHIBITOR / polycomb repressive complex 2 / GENE REGULATION-INHIBITOR complex

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