Target search


Target searching

You can browse all data relating to a particular protein target using the protein family classification tree (hierarchy) or searching by keyword, under the "Browse Targets" tab at the top of the homepage. An example of the protein family classifcation tree is shown in Figure 10.

Figure 10 Protein family classification tree.

Alternatively you can also search for a protein target using the sequence similarity BLAST search option, which you can access in the "Target Search" tab (see next carousel page).

You can filter the resulting data (for example by IC50 or Ki), download bioactivity data and identify interesting molecules on the basis of substructures, physicochemical properties, potency, and ligand efficiency.

Target searching using a FASTA File

If you are looking for a specific target in ChEMBL, you can use a FASTA file to run a BLAST search to see if the target, or a similar target, is in the database.

FASTA files can be downloaded from the UniProt website.

The target results will be ranked by decreasing similarity, with an identical target match being given 100% similarity. If it finds the same target but in a different organism (a homologue), this will generally be a 90%+ match (Figure 11).

Figure 11 BLAST searching using a FASTA file.

Target results

Once you have run your search, either by keyword, hierarchy or FASTA file, you will be given a list of matching targets. You can then either download all the activities for all (or some) of the matching targets, or you can click on the hyperlinks for individual targets to get more information (Figure 12).

Figure 12 Target search results.

Target report card

If you want more information about a specific protein target (or protein family or protein complex), then you can look at the Target report card. The report card will give you information such as: the preferred name, other targets in the complex, ligand efficiencies, bioactivities and external links to other databases, such as GO (gene ontology) (Figure 13).

You can access a target report card here: CHEMBL216.

Figure 13 Target report card.