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Structure paper

TitleDiscovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 3333-3337, Year 2018
Publish dateJun 7, 2018 (structure data deposition date)
AuthorsFukuda, T. / Ishiyama, T. / Katagiri, T. / Ueda, K. / Muramatsu, S. / Hashimoto, M. / Aki, A. / Baba, D. / Watanabe, K. / Tanaka, N.
External linksBioorg. Med. Chem. Lett. / PubMed:30217414
MethodsX-ray diffraction
Resolution1.5 - 2.15 Å
Structure data

PDB-6a1f:
Crystal structure of human DYRK1A in complex with compound 14
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-6a1g:
Crystal structure of human DYRK1A in complex with compound 32
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-9OF:
8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-9OL:
5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / DYRK1a

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