Abstract
A useful and novel set of tool molecules have been identified which bind irreversibly to the JAK3 active site cysteine residue. The design was based on crystal structure information and a comparative study of several electrophilic warheads.
Keywords:
Covalent; Irreversible inhibitor; JAK3.
Copyright © 2017 Elsevier Ltd. All rights reserved.
MeSH terms
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Binding Sites
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Catalytic Domain
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Cell Line
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Cell Survival / drug effects
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Drug Evaluation, Preclinical
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Humans
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Inhibitory Concentration 50
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Janus Kinase 1 / antagonists & inhibitors
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Janus Kinase 1 / metabolism
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Janus Kinase 2 / antagonists & inhibitors
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Janus Kinase 2 / metabolism
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Janus Kinase 3 / antagonists & inhibitors*
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Janus Kinase 3 / metabolism
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Molecular Docking Simulation
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Protein Kinase Inhibitors / chemistry*
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Protein Kinase Inhibitors / metabolism
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Protein Kinase Inhibitors / pharmacology*
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Structure-Activity Relationship
Substances
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Protein Kinase Inhibitors
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Janus Kinase 1
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Janus Kinase 2
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Janus Kinase 3