4Y73: Crystal Structure Of Irak4 Kinase Domain With Inhibitor

Citation:
Abstract
Interleukin-1 receptor associated kinase 4 (IRAK4) is an essential signal transducer downstream of the IL-1R and TLR superfamily, and selective inhibition of the kinase activity of the protein represents an attractive target for the treatment of inflammatory diseases. A series of 5-amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamides was developed via sequential modifications to the 5-position of the pyrazolopyrimidine ring and the 3-position of the pyrazole ring. Replacement of substituents responsible for poor permeability and improvement of physical properties guided by cLogD led to the identification of IRAK4 inhibitors with excellent potency, kinase selectivity, and pharmacokinetic properties suitable for oral dosing.
PDB ID: 4Y73Download
MMDB ID: 129491
PDB Deposition Date: 2015/2/13
Updated in MMDB: 2015/07
Experimental Method:
x-ray diffraction
Resolution: 2.14  Å
Source Organism:
Similar Structures:
Biological Unit for 4Y73: monomeric; determined by author
Molecular Components in 4Y73
Label Count Molecule
Protein (1 molecule)
1
Interleukin-1 Receptor-associated Kinase 4(Gene symbol: IRAK4)
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

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