Chemical Substances and Reactions
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KEGG LIGAND contains our knowledge on the universe of chemical substances and reactions that are relevant to life.
It is a composite database consisting of COMPOUND, GLYCAN, REACTION, RPAIR, RCLASS, and ENZYME databases, whose entries are identified by C, G, R, RP, RC, and EC numbers, respectively.
ENZYME is derived from the IUBMB/IUPAC Enzyme Nomenclature, but the others are internally developed and maintained.
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Chemical Structure Search
 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
[references]
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| SUBCOMP: | isomorphic subgraph search -- the query compound is fully matched to a portion of the database compound (substructure match) or a portion of the query compound is fully matched to the database compound (superstructure match)
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Search similar glycan structures
KCaM: local or global search for matching tree structures
[reference]
Download chemical structure drawing tool
| KegDraw: | Java application for drawing chemical compound structures and glycan structures with the capabilities to search against the KEGG databases
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Reaction Pathway prediction
Predict reaction pathways
PathPred: predict biodegradation/biosynthetic pathways
[reference]
Predict reactions for given reactant pairs
E-zyme: automatic assignment of EC numbers
[references]
Generate possible reaction paths
PathComp: generate possible reaction paths from an enzyme list
LIGAND Relational Database
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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 LIGAND relational database is made publicly accessible.
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Search COMPOUND
Search GLYCAN
Search REACTION
Search RPAIR
Last updated: July 1, 2010
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