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TitleDiscovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127475-127475, Year 2020
Publish dateApr 3, 2020 (structure data deposition date)
AuthorsKatayama, K. / Ishii, K. / Tsuda, E. / Yotsumoto, K. / Hiramoto, K. / Suzuki, M. / Yasumatsu, I. / Igarashi, W. / Torihata, M. / Ishiyama, T. / Katagiri, T.
External linksBioorg. Med. Chem. Lett. / PubMed:32781218
MethodsX-ray diffraction
Resolution2 - 2.6 Å
Structure data

PDB-7btv:
Crystal structure of EHMT2 SET domain in complex with compound 5.
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7buc:
Crystal structure of EHMT2 SET domain in complex with compound 13
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SAM:
S-ADENOSYLMETHIONINE

ChemComp-N47:
N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine

ChemComp-HOH:
WATER

ChemComp-F80:
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PROTEIN-SMALL MOLECULE INHIBITOR COMPLEX / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE/TRANSFERASE INHIBITOR

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