6UF0

Crystal structure of N-(4-((4-methoxy-N-(2,2,2-trifluoroethyl)phenyl)sulfonamido)isoquinolin-1-yl)-N-((4-methoxyphenyl)sulfonyl)glycine bound to human Keap1 Kelch domain

Summary for 6UF0

• Entry DOI: 10.2210/pdb6uf0/pdb
• Descriptor: Kelch-like ECH-associated protein 1, N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine, FORMIC ACID, ... (7 entities in total)
• Functional Keywords: protein-protein interaction inhibitor, keap1, nrf2 activator, protein binding
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 64939.30

Authors

Lazzara, P.R.,David, B.P.,Ankireddy, A.,Richardson, B.G.,Dye, K.,Ratia, K.M.,Reddy, S.P.,Moore, T.W. (deposition date: 2019-09-23, release date: 2019-12-18, Last modification date: 2023-10-11)

• Primary citation: Lazzara, P.R.,David, B.P.,Ankireddy, A.,Richardson, B.G.,Dye, K.,Ratia, K.M.,Reddy, S.P.,Moore, T.W.; Isoquinoline Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-like 2 (KEAP1-NRF2) Inhibitors with High Metabolic Stability.; J.Med.Chem., 63:6547-6560, 2020; PubMed: 31682434; DOI: 10.1021/acs.jmedchem.9b01074

Experimental method

X-RAY DIFFRACTION (1.96 Å)