6A1F

Crystal structure of human DYRK1A in complex with compound 14

6A1F の概要

• エントリーDOI: 10.2210/pdb6a1f/pdb
• 分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, ... (5 entities in total)
• 機能のキーワード: dyrk1a, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42886.29

構造登録者

Baba, D.,Hanzawa, H. (登録日: 2018-06-07, 公開日: 2018-10-03, 最終更新日: 2024-10-16)

主引用文献

Fukuda, T.,Ishiyama, T.,Katagiri, T.,Ueda, K.,Muramatsu, S.,Hashimoto, M.,Aki, A.,Baba, D.,Watanabe, K.,Tanaka, N.
Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28:3333-3337, 2018

PubMed Abstract: Hepcidin has emerged as the central regulatory molecule in systemic iron homeostasis. The inhibition of hepcidin may be a favorable strategy for the treatment of anemia of chronic disease. Here, we have reported the design, synthesis, and structure-activity relationships (SAR) of a series of 4-aminopyrimidine compounds as inhibitors of hepcidin production. The optimization study of 1 led to the design of a potent and bioavailable inhibitor of hepcidin production, 34 (DS42450411), which showed serum hepcidin-lowering effects in a mouse model of interleukin-6-induced acute inflammation.

PubMed: 30217414
DOI: 10.1016/j.bmcl.2018.09.010

実験手法

X-RAY DIFFRACTION (1.5 Å)