Chemistry

AlphaFold DB provides open access to over 200 million protein structure predictions to accelerate scientific research.

The first public molecular recognition database, BindingDB supports research, education and practice in drug discovery, pharmacology and related fields. BindingDB contains 2.7M data for 1.2M Compounds and 9.0K Targets. Of those, 1,225K data for 566K Compounds and 4.4K Targets were curated by BindingDB curators.

Note: As of August 2024, this resource is currently unavailable.

This free, online course is aimed at experimental or bench-based researchers working in the molecular life sciences who have little or no previous experience of using bioinformatics databases or tools. It will provide a broad overview of bioinformatics as a subject and the resources available publicly for researchers to access and use.

The BMCD stores information on protein and nucleic acid crystals that have been reported in the literature or deposited in the Protein Data Bank.

BRENDA is the main collection of enzyme functional data available to the scientific community. It is available free of charge via the internet (www.brenda-enzymes.org) and as an in-house database for commercial users (requests to our distributor geneXplain).

Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds. The term ‘molecular entity’ refers to any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer, etc., identifiable as a separately distinguishable entity. The molecular entities in question are either products of nature or synthetic products used to intervene in the processes of living organisms.

ChEMBL is a manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs.

DrugBank Online is a comprehensive, free-to-access, online database containing information on drugs and drug targets. As both a bioinformatics and a cheminformatics resource, we combine detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.

Data at EMBL-EBI spans genomics, proteins, expression, small molecules, protein structures, systems, ontologies and scientific literature.

The Encyclopedia of Life Sciences (eLS) is a regularly updating reference work containing over 6,300 specially commissioned, peer-reviewed and citable articles written by leaders in the field. It offers comprehensive and authoritative coverage of the life sciences for students, lecturers and researchers alike.

ENZYME is a repository of information relative to the nomenclature of enzymes. It is primarily based on the recommendations of the Nomenclature Committee of the International Union of Biochemistry and Molecular Biology (IUBMB) and it describes each type of characterized enzyme for which an EC (Enzyme Commission) number has been provided.

The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education. The database is designed to contain or link three kinds of data: 1) chemical data, 2) clinical data, and 3) molecular biology/biochemistry data.

The National Center for Biotechnology Information databases allow powerful searching of gene sequences, protein sequences, and much more.

The Protein Data Bank (PDB) archive is the single worldwide repository of information about the 3D structures of large biological molecules, including proteins and nucleic acids.

STITCH is a database of known and predicted interactions between chemicals and proteins. The interactions include direct (physical) and indirect (functional) associations; they stem from computational prediction, from knowledge transfer between organisms, and from interactions aggregated from other (primary) databases.

The mission of UniProt is to provide the scientific community with a comprehensive, high-quality and freely accessible resource of protein sequence and functional information.