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Contains chemical structures and biological properties of molecules including small molecules and siRNA reagents. PubChem consists of three interconnected databases: Substance, BioAssay and Compound. The database also provides a suite of web-based bioactivity analysis tools allowing to download and search individual test results, compare biological activity data from multiple screenings, examine target selectivity or explore structure–activity relationships for compounds of interest.
Provides expert-curated molecular interactions between successful and potential drugs and their targets in the human genome. The information in the database is presented at two levels: the initial view or landing pages for each target family provide expert-curated overviews of the key properties and selective ligands and tool compounds available. For selected targets more detailed introductory chapters for each family are available along with curated information on the pharmacological, physiological, structural, genetic and pathophysiogical properties of each target. The database is enhanced with hyperlinks to additional information in other databases including Ensembl, UniProt, PubChem, ChEMBL and DrugBank, as well as curated chemical information and literature citations in PubMed.
GLIDA / GPCR-LIgand DAtabase
Enables integration of information between G-protein coupled receptors (GPCRs) and their ligands. GLIDA is a public GPCR-related Chemical Genomics database that contains original GPCR-specific chemical entries and offers a common mining platform of bioinformatics and chemoinformatics. The database provides three types of primary data: biological information on GPCRs, chemical information on their ligands and information on binding of the GPCR–ligand pairs. It can be useful for GPCRrelated Chemical Genomics research and drug discovery.
GLASS / GPCR-Ligand Association
Aims to provide a comprehensive, manually-curated resource for experimentally validated GPCR-ligand associations. A new text-mining algorithm was proposed to collect GPCR-ligand interactions from the biomedical literature, which is then crosschecked with five primary pharmacological datasets, to enhance the coverage and accuracy of GPCR-ligand association data identifications. A special architecture has been designed to allow users for making homologous ligand search with flexible bioactivity parameters. The current database contains approximately 500,000 unique entries, of which the vast majority stems from ligand associations with rhodopsin- and secretin-like receptors.
A publicly accessible, relational database of G-proteins and their interactions with GPCRs and effector molecules. The sequences are classified according to a hierarchy of different classes, families and sub-families, based on extensive literature search. The main innovation besides the classification of both G-proteins and GPCRs is the relational model of the database, describing the known coupling specificity of the GPCRs to their respective alpha subunit of G-proteins and also the interaction between G-protein subfamilies and specific effector types, a unique feature not available in any other database.
A database which currently holds information about 713 human GPCRs, 36 human G-proteins and 99 human effectors. The collection of information about the interactions between these molecules was done manually and the current version of Human-gpDB holds information for about 1663 connections between GPCRs and G-proteins and 1618 connections between G-proteins and effectors. Major advantages of Human-gpDB are the integration of several external data sources and the support of advanced visualization techniques.
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