6V6Z

Crystal structure of N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine bound to human Keap1 Kelch domain

Summary for 6V6Z

• Entry DOI: 10.2210/pdb6v6z/pdb
• Descriptor: Kelch-like ECH-associated protein 1, FORMIC ACID, N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine, ... (7 entities in total)
• Functional Keywords: protein-protein interaction inhibitor, keap1, nrf2 activator, protein binding-inhibitor complex, protein binding/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 132025.88

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: 2019-12-06, release date: 2020-04-29, Last modification date: 2023-10-11)

• Primary citation: Lazzara, P.R.,Jain, A.D.,Maldonado, A.C.,Richardson, B.,Skowron, K.J.,David, B.P.,Siddiqui, Z.,Ratia, K.M.,Moore, T.W.; Synthesis and Evaluation of Noncovalent Naphthalene-Based KEAP1-NRF2 Inhibitors.; Acs Med.Chem.Lett., 11:521-527, 2020; PubMed: 32292559; DOI: 10.1021/acsmedchemlett.9b00631

Experimental method

X-RAY DIFFRACTION (1.6 Å)