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TitleDiverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 17146-17183, Year 2021
Publish dateJul 7, 2021 (structure data deposition date)
AuthorsBagal, S.K. / Gregson, C. / O' Donovan, D.H. / Pike, K.G. / Bloecher, A. / Barton, P. / Borodovsky, A. / Code, E. / Fillery, S.M. / Hsu, J.H. ...Bagal, S.K. / Gregson, C. / O' Donovan, D.H. / Pike, K.G. / Bloecher, A. / Barton, P. / Borodovsky, A. / Code, E. / Fillery, S.M. / Hsu, J.H. / Kawatkar, S.P. / Li, C. / Longmire, D. / Nai, Y. / Nash, S.C. / Pike, A. / Robinson, J. / Read, J.A. / Rawlins, P.B. / Shen, M. / Tang, J. / Wang, P. / Woods, H. / Williamson, B.
External linksJ. Med. Chem. / PubMed:34807608
MethodsX-ray diffraction
Resolution1.61 - 2.39 Å
Structure data

PDB-7p3c:
EED in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-7p3g:
EED in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

PDB-7p3j:
EED in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-L9W:
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

ChemComp-51A:
N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide

ChemComp-HOH:
WATER

ChemComp-52R:
N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine

ChemComp-MG:
Unknown entry

ChemComp-54N:
8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Methyl transferase EED PRC2 epigenetic H3K27 WD40 inhibitor

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