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
Summary for 6F2U
Entry DOI | 10.2210/pdb6f2u/pdb |
Descriptor | 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) |
Functional Keywords | aldo-keto reductase 1c3; akr1c3; 17b-hsd5; prostate cancer (pca); crpc; bioisosterism; scaffold hopping; inhibitors; x-ray crystallography, oxidoreductase |
Biological source | Homo sapiens (Human) More |
Cellular location | Cytoplasm: P42330 |
Total number of polymer chains | 2 |
Total formula weight | 73893.66 |
Authors | Goyal, P.,Wahlgren, W.Y.,Friemann, R. (deposition date: 2017-11-27, release date: 2018-04-04, Last modification date: 2024-01-17) |
Primary citation | 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 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.88 Å) |
Structure validation
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