title: SuperHapten: a comprehensive database for small immunogenic compounds.
abstract: The immune system protects organisms from foreign proteins, peptide epitopes and a multitude of chemical compounds. Among these, haptens are small molecules, eliciting an immune response when conjugated with carrier molecules. Known haptens are xenobiotics or natural compounds, which can induce a number of autoimmune diseases like contact dermatitis or asthma. Furthermore, haptens are utilized in the development of biosensors, immunomodulators and new vaccines. Although hapten-induced allergies account for 6-10% of all adverse drug effects, the understanding of the correlation between structural and haptenic properties is rather fragmentary. We have developed a manually curated hapten database, SuperHapten, integrating information from literature and web resources. The current version of the database compiles 2D/3D structures, physicochemical properties and references for about 7500 haptens and 25,000 synonyms. The commercial availability is documented for about 6300 haptens and 450 related antibodies, enabling experimental approaches on cross-reactivity. The haptens are classified regarding their origin: pesticides, herbicides, insecticides, drugs, natural compounds, etc. Queries allow identification of haptens and associated antibodies according to functional class, carrier protein, chemical scaffold, composition or structural similarity. SuperHapten is available online at http://bioinformatics.charite.de/superhapten.
authors.affiliation: Institute of Molecular Biology and Bioinformatics, Charité-University Medicine Berlin, Arnimallee 22, 14195 Berlin, Germany. stefan.guenther@charite.de
authors.forename: Stefan
authors.initials: S
authors.lastname: Günther
authors.forename: Dorothea
authors.initials: D
authors.lastname: Hempel
authors.forename: Mathias
authors.initials: M
authors.lastname: Dunkel
authors.forename: Kristian
authors.initials: K
authors.lastname: Rother
authors.forename: Robert
authors.initials: R
authors.lastname: Preissner
mesh_terms: D003429:Cross Reactions; D016208:Databases, Factual; D006241:Haptens / Q000737:chemistry* / Q000145:classification / Q000276:immunology; D020407:Internet; D014584:User-Computer Interface
chemical_list: D006241:Haptens