9WY2
Crystal Structure of HIF-PHD2 in complex with compound 3-2
This is a non-PDB format compatible entry.
Summary for 9WY2
| Entry DOI | 10.2210/pdb9wy2/pdb |
| Descriptor | Egl nine homolog 1, FE (II) ION, 4-oxidanyl-~{N}-(2-phenylpropan-2-yl)-2-pyrazol-1-yl-pyrimidine-5-carboxamide, ... (4 entities in total) |
| Functional Keywords | renal anemia, inhibitor, oxidoreductase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 25751.08 |
| Authors | |
| Primary citation | Fukuda, T.,Nishi, T.,Ishiyama, T.,Kitazawa, R.,Ishii, K.,Takahashi, S.,Kawabata, Y.,Yamaguchi, K.,Baba, D.,Ito, S.,Tanaka, N. Discovery of DS79540454 via fragment-based drug discovery strategy: New scaffolds of hypoxia-inducible factor prolyl hydroxylase inhibitor. Bioorg.Med.Chem.Lett., 131:130476-130476, 2026 Cited by PubMed Abstract: The inhibition of hypoxia-inducible factor prolyl hydroxylase domain proteins (HIF-PHDs) represents a promising strategy for treating renal anemia. We identified a hydroxypyrimidine core with HIF-PHD inhibitory activity based on a fragment-based drug discovery strategy using various X-ray crystal structures of the HIF-PHD2 domain in complex with a compound. We discovered brand-new amino succinic acid scaffolds by combining the structural information on the crystal structure complexed with 6-acetamide nicotinic acid. DS79540454 exhibits high enzyme inhibitory activity equivalent to that of DS-1093a, which has advanced to clinical trials. PubMed: 41265580DOI: 10.1016/j.bmcl.2025.130476 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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