Structure Search
Load Chemical Structure
Error connecting to NCATSFind service. You can still input structures via the Sketcher, or the Query SMILES field.
Find Similar Structures
Perform a structure based search for ligands
Find similar structures, based on a Lucene index of all the ligands in TCRD. Search for ligands that match the whole query structure using a 'Similarity' search, or ligands that contain the query structure as part of the whole, using a 'Substructure' search.
Find Predicted Targets
Find targets predicted to interact with the query structure
Find targets predicted to have an activity against the query structure, based on a set of Quantitative structure-activity relationship (QSAR) models. See NCATS Predictor for details, or to download datasets and models.