6F2U
Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid
6F2U の概要
エントリーDOI | 10.2210/pdb6f2u/pdb |
分子名称 | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-[(4-methoxyphenyl)methyl]-5-oxidanyl-~{N}-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide, ... (4 entities in total) |
機能のキーワード | aldo-keto reductase 1c3; akr1c3; 17b-hsd5; prostate cancer (pca); crpc; bioisosterism; scaffold hopping; inhibitors; x-ray crystallography, oxidoreductase |
由来する生物種 | Homo sapiens (Human) 詳細 |
細胞内の位置 | Cytoplasm: P42330 |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 73893.66 |
構造登録者 | |
主引用文献 | Pippione, A.C.,Carnovale, I.M.,Bonanni, D.,Sini, M.,Goyal, P.,Marini, E.,Pors, K.,Adinolfi, S.,Zonari, D.,Festuccia, C.,Wahlgren, W.Y.,Friemann, R.,Bagnati, R.,Boschi, D.,Oliaro-Bosso, S.,Lolli, M.L. Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150:930-945, 2018 Cited by PubMed: 29602039DOI: 10.1016/j.ejmech.2018.03.040 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.88 Å) |
構造検証レポート
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