遇见数据集

Keap1 compound complex

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Protein Data Bank Japan2024-11-13 更新2026-05-23 收录
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Keap1 compound complex Descriptor: 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 Authors: Johansson, P. Deposit date: 2021-11-12 Release date: 2022-03-16 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.415 Å) Cite: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65, 2022

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2021-11-12
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