6F78

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 6F78

• Entry DOI: 10.2210/pdb6f78/pdb
• Descriptor: Aldo-keto reductase family 1 member C3, 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, CHLORIDE ION, ... (5 entities in total)
• Functional Keywords: aldo-keto reductase 1c3, akr1c3, 17betahsd5, prostate cancer, crpc, bioisosterism, scaffold hopping, inhibitors, oxidoreductase
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P42330
• Total number of polymer chains: 2
• Total formula weight: 74893.26

Authors

Goyal, P.,Wahlgren, W.Y.,Friemann, R. (deposition date: 2017-12-07, 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; PubMed: 29602039; DOI: 10.1016/j.ejmech.2018.03.040

Experimental method

X-RAY DIFFRACTION (1.3 Å)