Database Update March 2015

The latest GtoPdb update was released on March 13th and this first release of 2015 includes major updates in several areas.

GPCR updates:

• Calcitonin receptors; introduction and all receptors
• Dopamine D₅ receptor
• Melanocortin receptors introduction
• P2Y₁ receptor  and P2Y₁₂ receptor
• Parathyroid hormone receptors introduction
• Trace amine TA₁ receptor; introduction and receptor page
• Links to BitterDB (database of bitter tasting compounds and their human receptors) added for Taste 2 Receptors
• Data on experimentally generated mutations from GPCRDB. GPCRDB is working with a consortium to collate data on GPCR mutants and is inviting submissions. Thus, the mutation data displayed here will update automatically whenever GPCRDB release new data. (See example for β₂-adrenoceptor)

Kinase updates

• Added affinity data (where available) for all of the kinase inhibitors in the database (including those we previously only had large-scale matrix screening data for), tagging primary targets where appropriate
• Also added information for kinase inhibitors in clinical trials

Epigenetics target updates

• Added all of the unblinded compounds from SGC’s epigenetics compound repository
• Several new epigenetics targets added into the Other Protein Targets section

Protease updates

• This target class now includes a first (for the database) with a predrug > prodrug > drug triplet. These were curated from a paper describing how MMP12 produces its own inhibitor in a two-step activation procedure. We now have ligand entries for the peptide substrate of the protease, the prodrug and the drug.

Ligand updates

• More than 420 new ligands added in this release.
• Many new kinase inhibitors
• New monoclonal antibodies and small molecules included in pharma pipelines (including any novel drug targets)
• Sourced available binding affinity data for all monoclonal antibodies in the database using a combination of BLAST sequence analysis, patent and literature searches, tagging primary targets as appropriate
• More than 20 compounds annotated with new/expanded drug approval information

Disease information updated

• Target pathophysiology sections have been updated with standardised disease nomenclature
• Disease name synonyms added
• More links added to the OMIM and Orphanet disease databases
• Added Disease Ontology nomenclature and links to the Ontobee disease ontology browser

Website updates

• New “Specialist databases” section created to highlight database links that are of particular interest on specific target and ligand pages, for example the IMGT/mAb-DB resource for antibodies

Ligand search tools

• Our chemical structure search tool now uses the Marvin JS structure editor from ChemAxon, which replaces the older Java version. The new JavaScript version has the advantage of cross-platform compatibility
• This version should also be compatible with tablets and mobile devices
• Useful features include the ability to import molecules through various file formats, structural identifiers or by compound name
• Compounds can also be exported in many different formats or as an image file

As always, updated data files are available to download with all the new data.