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Home Help FGROUP SUBSTRUCTURE compound enzyme Multiple
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Searching COMPOUND

Each COMPOUND entry has an ID number and one or more names, which can be searched using the Text-search option. Other search options are described below. To begin the search, click on the hyperlink describing the type of search you want to perform.

Text search Looking up compounds by name or ID (Help)
Tree search Hierarchical classification tree based on structure or activity
Structure search based on elements, electrostatic and physicochemical properties (Help)
Multiple Substructure Search search compounds by including or excluding FGROUPs (or SUBSTRUCTUREs) (Help)

Data source

The SUBSTRUCTURE database was constructed using data on the structures of 10,046 and 247,617 chemical compounds derived from the KEGG and NCI databases, respectively, in MDL Molfile format. For convenience, the original database IDs assigned to compounds have not been changed, so that they can be used to link to the corresponding data in the source databases.

SVG images

Each chemical compound entry has an automatically generated interactive SVG image, which can be used to find the substructure of interest.

BiSSCat v1.07.31
Developed by Masaaki Kotera, Department of Biochemistry, Trinity College Dublin.
Science Foundation of Ireland is gratefully acknowledged.