3QUP

Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)

Summary for 3QUP

• Entry DOI: 10.2210/pdb3qup/pdb
• Descriptor: Tyrosine-protein kinase receptor TYRO3, (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone (3 entities in total)
• Functional Keywords: protein kinase inhibitor, receptor tyrosine kinase, spirocycle, kinase domain, phosphotransfer, gas6 ligand, cytoplasmic surface, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Mus musculus (mouse)
• Cellular location: Cell membrane; Single-pass type I membrane protein: P55144
• Total number of polymer chains: 1
• Total formula weight: 37189.96

Authors

Ohren, J.F. (deposition date: 2011-02-24, release date: 2011-12-21, Last modification date: 2024-02-21)

Primary citation

Powell, N.A.,Kohrt, J.T.,Filipski, K.J.,Kaufman, M.,Sheehan, D.,Edmunds, J.E.,Delaney, A.,Wang, Y.,Bourbonais, F.,Lee, D.Y.,Schwende, F.,Sun, F.,McConnell, P.,Catana, C.,Chen, H.,Ohren, J.,Perrin, L.A.
Novel and selective spiroindoline-based inhibitors of sky kinase.
Bioorg.Med.Chem.Lett., 22:190-193, 2012

PubMed Abstract: We report the discovery of a novel series of spiroindoline-based inhibitors of Sky kinase that bind in the ATP-binding site and exhibit high levels of kinome selectivity through filling the Ala571-subpocket. These inhibitors exhibit moderate oral bioavailability in the rat due to low absorption across the gut wall.

PubMed: 22119469
DOI: 10.1016/j.bmcl.2011.11.036

Experimental method

X-RAY DIFFRACTION (1.9 Å)