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Record updated: May 5, 2015, 12:12 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 a database of bioactive drug-like small molecules.
ProtChemSI: a network of protein-chemical structural interactions
Protein-Chemical Structural Interactions
Rhea: an expert curated resource of biochemical reactions
Rhea (www.rhea-db.org) is a comprehensive and non-redundant resource of expert curated 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. A particular feature of Rhea is the fact that all reactions are balanced at the level of mass and charge. To achieve this all reactions involve normalized chemical entities at pH 7.3. Rhea includes enzyme-catalyzed reactions (covering the IUBMB Enzyme Nomenclature list and additional reactions), transport reactions and spontaneously occurring reactions. Special reactions involving complex macromolecules such as proteins, nucleic acids and other polymers that lie outside the scope of ChEBI are also included. Rhea reactions are extensively curated with links to source literature and are mapped to other publicly available enzyme and pathway databases such as Reactome, BioCyc, KEGG and UniPathway, through manual curation and computational methods.
SCRIPDB: A Portal for Easy Access to Syntheses, Chemicals, and Reactions In Patents
Search for Chemicals and Reactions In Patents
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.
Yeast Metabolome Database
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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