6A1G
Crystal structure of human DYRK1A in complex with compound 32
Summary for 6A1G
| Entry DOI | 10.2210/pdb6a1g/pdb |
| Descriptor | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine (3 entities in total) |
| Functional Keywords | dyrk1a, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 84477.76 |
| Authors | Baba, D.,Hanzawa, H. (deposition date: 2018-06-07, release date: 2018-10-03, Last modification date: 2024-10-16) |
| Primary citation | 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 Cited by 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: 30217414DOI: 10.1016/j.bmcl.2018.09.010 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.15 Å) |
Structure validation
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