Journal article
Targeting the water network in cyclin G-associated kinase (GAK) with 4-anilino-quin(az)oline inhibitors
- Abstract:
- Water networks within kinase inhibitor design and more widely within drug discovery are generally poorly understood. The successful targeting of these networks prospectively has great promise for all facets of inhibitor design, including potency and selectivity for the target. Herein, we describe the design and testing of a targeted library of 4‐anilinoquin(az)olines for use as inhibitors of cyclin G‐associated kinase (GAK). GAK cellular target engagement assays, ATP binding‐site modelling and extensive water mapping provide a clear route to access potent inhibitors for GAK and beyond.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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- Files:
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(Preview, Accepted manuscript, pdf, 1.5MB, Terms of use)
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- Publisher copy:
- 10.1002/cmdc.202000150
Authors
- Publisher:
- Wiley
- Journal:
- ChemMedChem More from this journal
- Volume:
- 15
- Issue:
- 13
- Pages:
- 1200-1215
- Publication date:
- 2020-05-26
- Acceptance date:
- 2020-05-01
- DOI:
- EISSN:
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1860-7187
- ISSN:
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1860-7179
- Pmid:
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32358915
- Language:
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English
- Keywords:
- Pubs id:
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1105052
- Local pid:
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pubs:1105052
- Deposit date:
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2021-02-17
- ARK identifier:
Terms of use
- Copyright holder:
- Wiley
- Copyright date:
- 2020
- Rights statement:
- © 2020 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim
- Notes:
- This is the accepted manuscript version of the article. The final version is available online from Wiley at: https://doi.org/10.1002/cmdc.202000150
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