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, and ENZYME databases, whose entries are identified by C, G, R, RP, 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
[reference]
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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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Other Computational Analysis
Predict reactions for given reactant pairs
E-zyme: automatic assignment of EC numbers
[reference]
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: October 5, 2009
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