Ligand databases

The KEGG (Kyoto Encyclopedia of Genes and Genomes) LIGAND database provides chemical structures for around 12 000 chemical compounds and drugs with biological information around 2000 compounds are annotated to enzymatic pathways. 

ChemBioBase Suite (Jubilant Biosys) Target-centric ligand databases 1.4 Mio Journals and patents Yes... 

Additionally, the Maybridge compound library (Version 2003, containing 59194 compounds) is converted into multi-conformational format and screened, analyzing the resulting hit lists for their accordance with the Lipinski drug-likeness criteria as applied to the PDB ligand database. A maximum mol weight of... 

Relibase a Program for Searching Protein-Ligand Databases. Cambridge Crystallographic Data Centre, Cambridge, 2000. 

Figure 7.4. LIGAND database. A composite database for searching/retrieving enzyme information by enzyme name, EC number, substrates/products, and reactions.

Predicted Rank of each Test Receptor s True Ligand out of the Ligand Database... 

M. L. Benson, R. D. Smith, N. A. Khazanov, B. Dimcheff, J. Beaver, P. Dresslar, J. Nerothin and H. A. Carlson, Binding MOAD, a high-quality protein-ligand database., Nucleic Acids Res., 2008, 36, D674-D678. 

LIGAND Database for enzyme, compounds, and reactions http //www.genome.ad.jp/dbget/ligand.html... 

Goto, S., Okuno, Y., Hattori, M., Nishioka, X, Kanehisa, M. LIGAND database of chemical compounds and reactions in biological pathways. Nucleic Acids Res. 2002, 30, 402-404. 

The University of Minnesota Biocatalysis/Biodegradation Database (UM-BBD) is a data repository providing curated information on microbial catabolic enzymes and their organization into metabolic pathways 54. At present, the UM-BBD stores information on approximately 100 pathways with 700 reactions, 600 compounds and 400 enzymes. The database does not try to cover every known enzyme but rather focuses on those used for the biodegradation of xenobiotics. UM-BBD is linked to the ENZYME, BRENDA and KEGG/LIGAND databases mentioned above. 

MOE s Pharmacophore Modeling and Structure-Based Design modules are power means to perform ligand-based design and receptor-based design to screen ligand databases for novel lead discovery. Available at ... 

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