5CXZ

SYK catalytic domain complexed with naphthyridine inhibitor

Summary for 5CXZ

Entry DOI	10.2210/pdb5cxz/pdb
Descriptor	Tyrosine-protein kinase SYK, GLYCEROL, CHLORIDE ION, ... (5 entities in total)
Functional Keywords	transferase/transferase inhibitor, transferase-transferase inhibitor complex
Biological source	Homo sapiens (Human)
Cellular location	Cell membrane : P43405
Total number of polymer chains	1
Total formula weight	34118.73
Authors	Thoma, G.,Veenstra, S.,Strang, R.,Blanz, J.,Vangrevelinghe, E.,Berghausen, J.,Lee, C.C.,Zerwes, H.-G. (deposition date: 2015-07-29, release date: 2015-09-16, Last modification date: 2024-03-06)
Primary citation	Thoma, G.,Veenstra, S.,Strang, R.,Blanz, J.,Vangrevelinghe, E.,Berghausen, J.,Lee, C.C.,Zerwes, H.G. Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg.Med.Chem.Lett., 25:4642-4647, 2015 Cited by PubMed Abstract: Design and optimization of benzo- and pyrido-thiazoles/isothiazoles are reported leading to the discovery of the potent, orally bioavailable Syk inhibitor 5, which was found to be active in a rat PK/PD model. Compound 5 showed acceptable overall kinase selectivity. However, in addition to Syk it also inhibited Aurora kinase in enzymatic and cellular settings leading to findings in the micronucleus assay. As a consequence, compound 5 was not further pursued. PubMed: 26320624 DOI: 10.1016/j.bmcl.2015.08.037 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation