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TitleEEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 7252-7267, Year 2020
Publish dateMar 19, 2020 (structure data deposition date)
AuthorsRej, R.K. / Wang, C. / Lu, J. / Wang, M. / Petrunak, E. / Zawacki, K.P. / McEachern, D. / Fernandez-Salas, E. / Yang, C.Y. / Wang, L. ...Rej, R.K. / Wang, C. / Lu, J. / Wang, M. / Petrunak, E. / Zawacki, K.P. / McEachern, D. / Fernandez-Salas, E. / Yang, C.Y. / Wang, L. / Li, R. / Chinnaswamy, K. / Wen, B. / Sun, D. / Stuckey, J. / Zhou, Y. / Chen, J. / Tang, G. / Wang, S.
External linksJ. Med. Chem. / PubMed:32580550
MethodsX-ray diffraction
Resolution1.85 - 2.2 Å
Structure data

PDB-6w7f:
Structure of EED bound to inhibitor 5285
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6w7g:
Structure of EED bound to inhibitor 1056
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-Q3D:
8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-Q3A:
8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine

ChemComp-NA:
Unknown entry

ChemComp-FMT:
FORMIC ACID

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / Inhibitor / Transcription-Inhibitor complex

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