8XGV

Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors

This is a non-PDB format compatible entry.

Summary for 8XGV

• Entry DOI: 10.2210/pdb8xgv/pdb
• Descriptor: Kelch-like ECH-associated protein 1, (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, ... (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: 35733.92

Authors

Otake, K.,Hara, Y.,Ubukata, M.,Inoue, M.,Nagahashi, N.,Motoda, D.,Ogawa, N.,Hantani, Y.,Hantani, R.,Adachi, T.,Nomura, A.,Yamaguchi, K.,Maekawa, M.,Mamada, H.,Motomura, T.,Sato, M.,Harada, K. (deposition date: 2023-12-15, release date: 2024-05-22)

• Primary citation: Otake, K.,Hara, Y.,Ubukata, M.,Inoue, M.,Nagahashi, N.,Motoda, D.,Ogawa, N.,Hantani, Y.,Hantani, R.,Adachi, T.,Nomura, A.,Yamaguchi, K.,Maekawa, M.,Mamada, H.,Motomura, T.,Sato, M.,Harada, K.; Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.; J.Med.Chem., 67:3741-3763, 2024; PubMed: 38408347; DOI: 10.1021/acs.jmedchem.3c02171

Experimental method

X-RAY DIFFRACTION (1.42 Å)