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Record updated: July 4, 2016, 1:20 p.m.
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Humans perceive numerous compounds as bitter. The bitterness of a compound often provides a hint to its potential toxicity, and aversion from bitterness helps refrain from consuming poisons. Well known example is strychnine. Some other bitter compounds, such as caffeine, while toxic in high dosages, are palatable and are consumed in large quantities. The amount of bitter compounds is estimated in thousands. But what are these compounds? How similar or different are their chemical properties? Do they act on the same or on different receptors? Is it possible to predict bitterness of a molecule? To enable investigation into these intriguing questions, we established BitterDB, a free and searchable database of bitter compounds.
canSAR: An integrated cancer translational research and drug discovery resource
canSAR is an integrated cancer research and drug discovery resource that brings together large-scale data from different disciplines and allows query and exploration to help cancer research and drug discovery.
ChEMBL: a large-scale bioactivity database for drug discovery
ChEMBL is an open large-scale bioactivity database containing information largely manually extracted from the medicinal chemistry literature. Information regarding the compounds tested (including their structures), the biological or physicochemical assays performed on these and the targets of these assays are recorded in a structured form, allowing users to address a broad range of drug discovery questions.
ProtChemSI: a network of protein-chemical structural interactions
Protein-Chemical Structural Interactions
Rhea: an expert curated resource of biochemical reactions
Rhea is a comprehensive and non-redundant resource of biochemical reactions described using species from the ChEBI (Chemical Entities of Biological Interest) ontology of small molecules. Rhea has been designed for the functional annotation of enzymes and the description, analysis and reconciliation of genome-scale metabolic networks.
SCRIPDB: A Portal for Easy Access to Syntheses, Chemicals, and Reactions In Patents
SCRIPDB is a chemical structure database designed to make patent metadata accessible. We index public-domain chemical information contained in U.S. patents, and provide the full patent text, reactions, and relationships described within any individual patent, as well as the original CDX, MOL, and TIFF files.
TTD, Therapeutic Target Database
The Therapeutic Target Database provides information about therapeutic protein and nucleic acid targets, the targeted disease, pathway information and the corresponding drugs directed at each of these targets. Also included in this database are links to relevant databases containing information about target function, sequence, 3D structure, ligand binding properties, enzyme nomenclature and drug structure, therapeutic class, clinical development status. All information is fully referenced.
The Yeast Metabolome Database (YMDB) is a manually curated database of small molecule metabolites found in or produced by Saccharomyces cerevisiae (also known as Baker’s yeast and Brewer’s yeast). This database covers metabolites described in textbooks, scientific journals, metabolic reconstructions and other electronic databases.
The DrugBank database is a bioinformatics and chemoinformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.
Chemical Component Dictionary
The Chemical Component Dictionary is as an external reference file describing all residue and small molecule components found in Protein Data Bank entries. It contains detailed chemical descriptions for standard and modified amino acids/nucleotides, small molecule ligands, and solvent molecules. Each chemical definition includes descriptions of chemical properties such as stereochemical assignments, aromatic bond assignments, idealized coordinates, chemical descriptors (SMILES & InChI), and systematic chemical names.
Drug Adverse Reaction Target
A database for facilitating the search for drug adverse reaction target. DART contains information about known drug adverse reaction targets, functions and properties.
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