He, Bai; Velaparthi, Subash; Pieffet, Gilles; Pennington, Chris; Mahesh, Aruna; Holzle, Denise L.; Brunsteiner, Michael; van Breemen, Richard; Blond, Sylvie Y.; Petukhov, Pavel A. published the artcile< Binding Ensemble Profiling with Photoaffinity Labeling (BEProFL) Approach: Mapping the Binding Poses of HDAC8 Inhibitors>, Synthetic Route of 57493-24-0, the main research area is histone deacetylase HDAC8 photoaffinity labeling BEProFL.
A binding ensemble profiling with (f)photoaffinity labeling (BEProFL) approach that utilizes photolabeling of HDAC8 with a probe containing a UV-activated aromatic azide, mapping of the covalent modifications by liquid chromatog.-tandem mass spectrometry, and a computational method to characterize the multiple binding poses of the probe is described. By use of the BEProFL approach, two distinct binding poses of the HDAC8 probe were identified. The data also suggest that an “”upside-down”” pose with the surface binding group of the probe bound in an alternative pocket near the catalytic site may contribute to the binding.
Journal of Medicinal Chemistry published new progress about Enzyme functional sites. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Synthetic Route of 57493-24-0.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica