title: Discovery of thioazepinone ligands for Src SH2: from non-specific to specific binding.
abstract: The structure-based design and synthesis of new thioazepinones as ligands for Src SH2 protein is presented. From benzothioazepinones, ligands with somewhat unspecific binding properties, simpler thioazepinones were designed, the best ones demonstrated nanomolar affinity for Src SH2. A few of these new ligands were crystallized with the protein and demonstrated a specific binding mode with the protein.
authors.affiliation: Department of Medicinal Chemistry, Aventis, 102 route de Noisy, 93235 Romainville Cedex, France. dominique.lesuisse@aventis.com
authors.forename: D
authors.initials: D
authors.lastname: Lesuisse
authors.forename: P
authors.initials: P
authors.lastname: Deprez
authors.forename: E
authors.initials: E
authors.lastname: Albert
authors.forename: T T
authors.initials: TT
authors.lastname: Duc
authors.forename: B
authors.initials: B
authors.lastname: Sortais
authors.forename: D
authors.initials: D
authors.lastname: Gofflo
authors.forename: V
authors.initials: V
authors.lastname: Jean-Baptiste
authors.forename: J
authors.initials: J
authors.lastname: Marquette
authors.forename: B
authors.initials: B
authors.lastname: Schoot
authors.forename: E
authors.initials: E
authors.lastname: Sarubbi
authors.forename: G
authors.initials: G
authors.lastname: Lange
authors.forename: P
authors.initials: P
authors.lastname: Broto
authors.forename: E
authors.initials: E
authors.lastname: Mandine
mesh_terms: D001381:Azepines / Q000494:pharmacology*; D001665:Binding Sites; D008024:Ligands; D008958:Models, Molecular; D015688:Oncogene Protein pp60(v-src) / Q000737:chemistry / Q000187:drug effects / Q000378:metabolism*; D018909:src Homology Domains
chemical_list: D001381:Azepines; D008024:Ligands; D015688:Oncogene Protein pp60(v-src)