CHEM 471 & 474 - Biochemistry: Databases & Dictionaries

Database of measured binding affinities, focusing chiefly on the interactions of protein considered to be drug-targets with small, drug-like molecules

Short videos showing how to use the BRENDA Enzyme Information System. If new to BRENDA, start with “BRENDA tutorial - Enzyme Search”

Experimental and computed (quantum mechanics) thermochemical data for a selected set of gas-phase atoms and small molecules. Tools for comparing experimental and computational ideal-gas thermochemical properties

Database of bioactive drug-like small molecules; it contains 2-D structures, calculated properties and abstracted bioactivities

Dictionary of molecular entities focused on ‘small’ chemical compounds

An open preprint server for Chemistry, managed by ACS. More details on the “What You Need to Know” page.

A free database of chemistry structures and their associated information. To draw and search on a structure or substructure, click “Structure search,” then click the pencil inside the diagram, then select “Draw or Edit”

A compilation of toxicological information sourced from many sites, databases and other sources (see the site’s “About/Disclaimer” for aims and limitations of the database)

Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers

The Internet search engine for chemists and biologists; a federated search service that retrieves chemical compound information from a wide variety of databases.

PubChem Structure Search allows the PubChem Compound Database to be to be queried by chemical structure or chemical structure pattern. The PubChem Sketcher allows a query to be drawn manually. Users may also specify the structural query input by PubChem Compound Identifier (CID) , SMILES , SMARTS , InChI , Molecular Formula , or by upload of a supported structure file format.

Searches databases and websites from US federal government agencies with a focus on science information, including research and development results

A freely-accessible research network that aggregates open-access articles from a variety of sources.

An integrated spectral database system for organic compounds, which includes EI-MS, FT-IR, NMR, 13C NMR, laser Raman, and ESR spectra.

Open-access database that cross-searches Nature Methods, Nature Protocols, Springer Protocols and the Protocol Exchange.

NIST Literature Report Builder for Thermophysical and Thermochemical Property Measurements

As part of a broader NLM reorganization, most of NLM's toxicology information services have been integrated into other NLM products and services. Links to these products and services can be found on this page.

May be easier than SciFinder for “common” compounds of significant environmental, toxicological or commercial interest