Welcome to 1717 CheMall
Biological chemistry
BindingDB

Measured binding affinities. [Publisher: University of California, San Diego, USA]

Biological Magnetic Resonance Data Bank

NMR data of proteins, peptides, nucleic acids, and other biomolecules. [Publisher: University of Wisconsin, USA]

BRENDA

Enzyme data. [Publisher: Braunschweig University of Technology, Germany]

ChEBI

Binding, functional and ADMET bioactivity data, focused on small molecules. [Publisher: EMBL-EBI]

ChEMBL

Binding, functional and ADMET bioactivity data. [Publisher: EMBL-EBI]

ChemDB HIV

Opportunistic Infection and Tuberculosis Therapeutics Database. This database contains data on the structure and activity of compounds that have been tested against HIV, HIV enzymes or opportunistic pathogens. [Publisher: National Institutes of Health (NIH), USA]

Chemical Components in the PDB

[Publisher: EMBL-EBI]

Chemical Effects in Biological Systems (CEBS)

Data of interest to environmental health scientists. [Publisher: National Institutes of Health (NIH), USA]

Constraint analysis

Results from an analysis of constraints from 1834 NMR PDB entries. [Publisher: EMBL-EBI]

DaliLite

Tool for pairwise alignment of protein structures. [Publisher: EMBL-EBI]

DrugBank

A bioinformatics and cheminformatics resource combining detailed drug and drug target information. [Publisher: The Metabolomics Innovation Centre and University of Alberta]

enaLib Hetero Components Database

Hetero components included in three-dimensional biopolymer structures deposited at the Protein Data Bank (PDB) and the Nucleic Acid Database (NDB). [Publisher: Fritz Lipmann Institute, Germany]

Enzyme Portal

Integrated enzyme data from EMBL-EBI resources. [Publisher: EMBL-EBI]

European Nucleotide Archive

Submitted nucleotide sequence read, assembly and functional annotation data. [Publisher: EMBL-EBI]

FireDB

PDB structures, associated ligands and reliably annotated functionally important residues. [Publisher: Spanish National Cancer Research Centre]

Hetero-compound Information Centre - Uppsala (HIC-Up)

For structural biologists dealing with hetero-compounds (small molecules). [Publisher: Uppsala University, Sweden ]

Human Metabolome Database (HMDB)

Small molecule metabolites found in the human body. [Publisher: The Metabolomics Innovation Centre, Canada]

InterPro

Database for the classification of proteins into families, domains and conserved sites. [Publisher: EMBL-EBI]

KEGG LIGAND

Aceess to COMPOUND, GLYCAN, REACTION, RPAIR, RCLASS, and ENZYME databases. [Publisher: Kanehisa Laboratories, Japan]

Ligand Expo

Small molecule chemical and structural information of entries in the Protein Data Bank. [Publisher: Rutgers University, USA]

LipidBank

The official database of Japanese Conference on the Biochemistry of Lipids (JCBL). [Publisher: Japanese Conference on the Biochemistry of Lipids (JCBL)]

Molecular Modeling Database (MMDB)

Experimentally resolved structures of proteins, RNA, and DNA, derived from the Protein Data Bank (PDB). [Publisher: National Institutes of Health (NIH), USA]

NCBI Biosystems Database

Integrated access to biological systems and their component genes, proteins, and small molecules. [Publisher: National Institutes of Health (NIH), USA]

NCBI Gene

Nomenclature, reference sequences (RefSeqs), maps, pathways, variations, phenotypes, and links to genome-, phenotype-, and locus-specific resources worldwide. [Publisher: National Institutes of Health (NIH), USA]

NCBI Protein

Protein sequences from several sources, including GenBank, RefSeq, TPA, SwissProt, PIR, PRF, and PDB. [Publisher: National Institutes of Health (NIH), USA]

NMR Structures of Membrane Proteins

[Publisher: Laboratory of Biological Physical Chemistry of Membrane Proteins, France]

NRG NMR Restraints Grid at BMRB

[Publisher: University of Wisconsin, USA]

Nucleic Acid Database (NDB)

Experimentally-determined nucleic acids and complex assemblies. [Publisher: Rutgers University, USA]

OCA

Database of protein structure and function. [Publisher: Weizmann Institute of Science, Israel]

Open PHACTS Explorer

Provides integrated access to publicly available pharmacology and physicochemical data. [Publisher: Open PHACTS project and University of Manchester]

PDBePISA

Protein interactions, surfaces and assemblies. [Publisher: EMBL-EBI]

PDBREPORT

Structural problems in PDB entries that have been determined using X-ray diffraction or NMR techniques. [Publisher: Netherlands Bioinformatics Centre]

PDBsum

Pictorial database of 3D structures in the Protein Data Bank. [Publisher: EMBL-EBI]

Phenol-Explorer

First comprehensive database on polyphenol content in foods. The database contains more than 35,000 content values for 500 different polyphenols in over 400 foods. [Publisher: INRA, AFSSA, University of Alberta, University of Barcelona, IARC and In Siliflo]

PROCOGNATE

Cognate ligands for the domains of enzyme structures in CATH, SCOP and Pfam. [Publisher: EMBL-EBI]

Protein Data Bank in Europe (PDBe)

The European resource for the collection, organization and dissemination of 3D structural data (from PDB and EMDB) on biological macromolecules and their complexes. [Publisher: EMBL-EBI]

Protein Data Bank in Europe (PDBe) Electron Microscopy resources

[Publisher: EMBL-EBI]

Protein Data Bank in Europe (PDBe) NMR resources

[Publisher: EMBL-EBI]

PubChem

Biological activity of small molecules [Publisher: National Institutes of Health (NIH), USA]

PubChem BioAssay

Bioactivity screens of chemical substances described in PubChem Substance [Publisher: National Institutes of Health (NIH), USA] PubChem Compound - Validated chemical depiction information provided to describe substances in PubChem Substance [Publisher: National Institutes of Health (NIH), USA]

PubChem Substance Database

Descriptions of samples and links to biological screening results available in PubChem BioAssay. [Publisher: National Institutes of Health (NIH), USA]

RCSB PDB Biological Macromolecular Resource

The PDB archive contains information about experimentally-determined structures of proteins, nucleic acids, and complex assemblies. [Publisher: University of California, San Diego and Rutgers University]

RECOORD

Database of 500+ recalculated NMR structures from the PDB. [Publisher: EMBL-EBI]

Re-referenced Protein Chemical shift Database (RefDB)

Database of carefully corrected or re-referenced chemical shifts, derived from the BioMagRes Bank. [Publisher: University of Alberta, Canada]

Rhea

Curated database of enzyme-catalysed reactions. [Publisher: EMBL-EBI]

Solid State NMR Protein Structures

[Publisher: Laboratory of Biological Physical Chemistry of Membrane Proteins, France]

UniProt

The Universal Protein Resource, a comprehensive resource for protein sequence and functional annotation data. [Publisher: European Bioinformatics Institute (EMBL-EBI), the Swiss Institute of Bioinformatics (SIB) and the Protein Information Resource (PIR)]

ValLkgURL

Ligand validator [Publisher: Uppsala University, Sweden ] ZINC - Commercially-available compounds for virtual screening. [Publisher: University of California, San Francisco, USA]

Pherobase

Database of pheromones and semiochemicals. [Publisher: The Pherobase]

DockBlaster

A service for structure-based ligand discovery. [Publisher: University of California, San Francisco, USA]

LipidMaps

For researchers interested in lipid biology [Publisher: National Institute of General Medical Sciences, USA]