8IVG

Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease

Summary for 8IVG

• Entry DOI: 10.2210/pdb8ivg/pdb
• Descriptor: Kelch-like ECH-associated protein 1, (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... (5 entities in total)
• Functional Keywords: chronic kidney disease (ckd), keap1, nrf2, non-covalent inhibitor, peptide binding protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 36100.28

Authors

Otake, K.,Ubukata, M.,Nagahashi, N.,Ogawa, N.,Hantani, Y.,Hantani, R.,Adachi, T.,Nomura, A.,Yamaguchi, K.,Maekawa, M.,Mamada, H.,Motomura, T.,Sato, M.,Harada, K. (deposition date: 2023-03-27, release date: 2023-06-14, Last modification date: 2024-05-29)

• Primary citation: Otake, K.,Ubukata, M.,Nagahashi, N.,Ogawa, N.,Hantani, Y.,Hantani, R.,Adachi, T.,Nomura, A.,Yamaguchi, K.,Maekawa, M.,Mamada, H.,Motomura, T.,Sato, M.,Harada, K.; Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.; Acs Med.Chem.Lett., 14:658-665, 2023; PubMed: 37197451; DOI: 10.1021/acsmedchemlett.3c00067

Experimental method

X-RAY DIFFRACTION (1.8 Å)