BindingDB Entry 50015271: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.

Name: BindingDB Entry 50015271: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.
Creator: BindingDB
Keywords: Kelch-like ECH-associated protein 1 and Nuclear factor erythroid 2-related factor 2, Uppsala University, Affinity

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Dataset . 2023

Data sources: Datacite

BindingDB Entry 50015271: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.

Research datakeyboard_double_arrow_right Dataset 01 Jan 2023 English Publisher:BindingDB

Authors: BindingDB;

doi: 10.7270/q2fj2mqs

BindingDB Entry 50015271: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.

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Abstract

Small molecule binding data for protein Kelch-like ECH-associated protein 1 and Nuclear factor erythroid 2-related factor 2, Uniprot Q14145 and Q16236

Related Organizations

University of California, San Diego
United States

Keywords

Kelch-like ECH-associated protein 1 and Nuclear factor erythroid 2-related factor 2, Uppsala University, Affinity

10 Research products, page 1 of 1

BindingDB Entry 50001714: Non-covalent Small-Molecule Kelch-like ECH-Associated Protein 1-Nuclear Factor Erythroid 2-Related Factor 2 (Keap1-Nrf2) Inhibitors and Their Potential for Targeting Central Nervous System Diseases.
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BindingDB Entry 50014416: Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
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BindingDB Entry 50047995: Discovery and Development of Kelch-like ECH-Associated Protein 1. Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction Inhibitors: Achievements, Challenges, and Future Directions.
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BindingDB Entry 50001797: Replacement of a Naphthalene Scaffold in Kelch-like ECH-Associated Protein 1 (KEAP1)/Nuclear Factor (Erythroid-derived 2)-like 2 (NRF2) Inhibitors.
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BindingDB Entry 50009297: Reasonably activating Nrf2: A long-term, effective and controllable strategy for neurodegenerative diseases.
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BindingDB Entry 50011439: Design, Synthesis, and Structure-Activity Relationships of Indoline-Based Kelch-like ECH-Associated Protein 1-Nuclear Factor (Erythroid-Derived 2)-Like 2 (Keap1-Nrf2) Protein-Protein Interaction Inhibitors.
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BindingDB Entry 50008721: Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
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BindingDB Entry 50010490: Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
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Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1–Nrf2 Protein–Protein Interaction
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BindingDB Entry 50012354: Mining Natural Products for Macrocycles to Drug Difficult Targets.
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