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 Cited by PubMed: 31682434DOI: 10.1021/acs.jmedchem.9b01074 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.96 Å) |
Structure validation
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