G protein-coupled receptors (GPCRs) are probably the most attractive drug target membrane proteins, which constitute nearly half of drug targets in the contemporary drug discovery industry. While the majority of drug discovery studies employ existing GPCR and ligand interactions to identify new compounds, there remains a shortage of specific databases with precisely annotated GPCR-ligand associations.
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.
Facilitates integration and aggregation of GPCR-targeting drugs and demonstrate its application to classify and analyze a large subset of the PubChem database. The GPCR ontology, based on previously reported BioAssay Ontology, depicts available pharmacological, biochemical and physiological profiles of GPCRs and their ligands.
Provides reference data, analysis tools and interactive diagrams. GPCRDB is a comprehensive information system, storing and analysing G protein-coupled receptors (GPCRs) data. This online resource holds three kinds of experimental data: sequences, mutation data and ligand binding data. It also allows for complementary data types to be assigned to receptor residue positions and visualized within uniform residue diagrams and tables.
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.
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.
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 G protein-coupled receptor (GPCR) ligand library (GLL) for 147 targets, selecting for each ligand 39 decoy molecules, collected in the GPCR Decoy Database (GDD). Decoys were chosen ensuring a ligand-decoy similarity of six physical properties, while enforcing ligand-decoy chemical dissimilarity. The performance in docking of the GDD was evaluated on 19 GPCRs, showing a marked decrease in enrichment compared to bias-uncorrected decoy sets.
Gathers more than 2300 pharmacophores models for over 800 G-protein coupled receptors (GPCRs). GPCRPMD is a database that compiles results from experiment run with Pharmacophore-Map-Pick method which the aims to determine pharmacophore models for all human GPCRs. The repository intends to improve drug discovery in the GPCR field. All the data can be downloaded directly or be searched by using a UniProt AC.
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.
Manages information and data relevant to the study of the biology of the receptors. GCRDb collects and stores entries from several online databases, including GenBank. G-protein-coupled receptors (GCRs) are classified in different families to simplify research and query of users.
A unique resource in the public domain which provides information on the abilities of drugs to interact with an expanding number of molecular targets. The Ki database serves as a data warehouse for published and internally-derived Ki, or affinity, values for a large number of drugs and drug candidates at an expanding number of G-protein coupled receptors, ion channels, transporters and enzymes.
A system that supports browsing and searching for GPCR oligomer data. Such data were manually derived from the literature. While focused on GPCR oligomers, GPCR-OKB is seamlessly connected to GPCRDB, facilitating the correlation of information about GPCR protomers and oligomers.
Provides regulators of G-protein signaling and G protein-coupled receptors (GPCRs) information specifically for clinical research. RINGdb is a resource that integrates organized database cross-references to allow direct access to detailed information. It contains all types of information about mutations, tissue distributions, protein sequences, protein domains, post-translational modifications, protein-protein interactions, diseases/disorders, drugs and ligands.
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