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KEGG LIGAND Database

Molecular building blocks of life in the chemical space

KEGG2 ATLAS PATHWAY BRITE GENES SSDB LIGAND DBGET

Chemical Substances and Reactions

KEGG LIGAND contains our knowledge on the universe of chemical substances and reactions that are relevant to life. It is a composite database currently consisting of COMPOUND, DRUG, GLYCAN, REACTION, RPAIR, and ENZYME databases. ENZYME is derived from the Enzyme Nomenclature, but the others are internally developed and maintained.
Database Identifier Content Specialized
entry point
LIGAND COMPOUND C number Chemical compound structures KEGG COMPOUND
DRUG D number Drug structures KEGG DRUG
GLYCAN G number Glycan structures KEGG GLYCAN
REACTION R number Biochemical reactions KEGG REACTION
RPAIR RP number Reactant pair alignments
ENZYME EC number Enzyme nomenclature

blue Search for
bfind mode bget mode

LIGAND Relational Database

The primary database of KEGG LIGAND is a relational database with the KegDraw interface, which is used to generated the secondary (flat file) database for DBGET. A read-only copy of the relational database is also made publicly accessible.

yellow Search COMPOUND
yellow Search DRUG
yellow Search GLYCAN
yellow Search REACTION
yellow Search RPAIR

Computational Tools

yellow Search similar compound structures
SIMCOMP:maximal common subgraph search -- a portion of the query compound is optimally matched to a portion of the database compound [reference]
SUBCOMP:isomorphic subgraph search -- the query compound is fully matched to a portion of the database compound
yellow Search similar glycan structures
KCaM: local or global search for matching tree structures [reference]
yellow Predict reactions for given reactant pairs
e-zyme: automatic assignment of EC numbers [reference]
yellow Generate possible reaction paths
PathComp: generate possible reaction paths from an enzyme list
Last updated: June 19, 2008
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