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The ETM-DB website interface allows users to search for entities and relationships using (a) names, ETM-DB identifiers, NCBI taxonomy identifiers for herbs, (b) names, ETM-DB identifiers, InChI, InChIkey, smiles, formula for compounds, (c) names, ETM-DB identifiers, UMLS names, UMLS IDs for phenotypes, or (d) gene names, ETM-DB identifiers, Entrez ID, gene symbol. Search results for entities and relationships including references to the sources are displayed in the web interface. The herbs search result page shows the herb attributes and related compounds, phenotypes and prescriptions. Search results for compounds display compound attributes and related herbs, phenotypes and genes. It includes detailed information on 2D and 3D chemical structure, predicted physicochemical and ADMET properties for the selected phytochemical. Users can also download 2D and 3D structure of the phytochemical in the form of a structure-data file (SDF). For phenotype search results, associated herbs, compounds, genes and prescriptions are included. Similarly, gene query results show gene attributes, related compounds, and phenotypes. For each query result, users can click each entity identifier to view a different page including detailed data about the entities. Users can also click the button "Browse" on the the homepage to browse compounds and herbs in the database.


Herb search

You can search the herb of interest using names, ETM-DB identifiers, and NCBI taxonomy identifiers. Users can also browse herbs alphabetically.

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Each herb has a unique ID. The ID (1) can be used in the search field to access the herb directly. If you know the NCBI taxonomy ID (2) or name (3) of the herb, you can insert in the herb search box to directly access the herb.

The herb search result is displayed as shown above.

Compound search

The search options for compounds include name, ETM-DB ID, SMILES, InChI, InChIkey, Formula and Structure. Users can also browse compounds alphabetically.

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1. Direct keyword search
(A)  If you know the name (1) of the compound of interest just type in compound search menu.
(B)  Each compound has the SMILES (2). Similarly, users can also enter compound ETMDB ID, InChi Key, InChi or Formula in the compound search to access the compound information directly.

2. Structure search

(A)  Users can draw a structure of the compound to search for similar compound. For example, the structure drawn on the Field (1) window is behenic acid. It can be drawn by selecting single bond from the top panel and attaching hydroxyl group by selecting O from the left panel. Then selecting double bond from the top panel followed by selecting O from the left panel to draw the oxygen on the double bond. The other carbon chain is drawn by concatenating single bond.
(B)  Once the structure is drawn, users have to click show SMILES (2) button to generate the SMILES from the structure, followed by hitting the Search (3) button to submit the query and the results page will be displayed.

Compound search result

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  1. The general properties (chemical structures, PubChem ID, ChemSpider ID, formula, synonym, smiles, InChIKey, and InChI) of the corresponding compound is shown at the top of the compound search result as shown in Field (1). PubChem and ChemSpider IDs are linked, if available, and users can click the link to be redirected to the PubChem and ChemSpider page, where additional information about this compound can be accessed.
  2. This is followed by predicted physicochemical properties (2) and ADMET properties (3) of the compounds.
  3. Field (4) shows the information about the related phenotypes to the respective comound. This relation contains informations about relation type, evidence, and reference. Similarly field (5) is information about related target gene/protein with attributes shown.