Histamine Receptor Antagonist Library
It is generally acknowledged that histamine is an important regulator of a plethora of (patho) physiological conditions and exerts its actions through the interaction with four histamine receptor subtypes. All these receptors belong to the family of heptahelical GPCR's and are considered as a promising molecular targets for drug development.
The Histamine Receptor Antagonist Library from OTAVAchemicals comprises 1,249 compounds in total. To design this receptor-based library we used crystal structure of human histamine H1 receptor in complex with doxepin. On its basis, homology models of two other human histamine receptors (H3 and H4) have been built and used for flexible docking. All three receptor structures were validated with reference sets of active compounds obtained from ChEMBL database. During the docking, a hydrogen bond constraints between docked ligand and key receptor residues have been set. To filter molecular complexes obtained with the docking, a scoring function cutoff was used. Finally, the complexes retained after the filtering were subjected to visual analysis in order to discard ligands with improper binding mode.
This library comprises drug-like compounds only and provides an excellent basis for GPCR-associated research and drug discovery projects.
All compounds are in stock, cherry-picking is available.
The library (DB, SD, XLS, PDF format) as well as the price-list is available on request. Feel free to contact us or use on-line form below to send an inquiry if you are interested to obtain this library or if you need more information.