Every small molecule co-crystallized with a protein in the Protein Data Bank that clears the index admission rule, searchable by the structure you draw and readable as the contacts it makes in each site it was solved in. Draw a query, or type a name.
Draw a structure, or paste a SMILES string onto the canvas. The drawing travels as a molfile as well as a SMILES string, so a hydrogen on an aromatic nitrogen is not lost on the way.
Matches the component code, the drug name and its synonyms where ChEMBL has them, the ChEMBL id, and the chemical component dictionary's own systematic name.
Try a drug, or a scaffold:
A whole drug finds its own
contact maps; press Pharmacophore to broaden it to everything shaped like
it.
atorvastatin (Lipitor)
imatinib (Gleevec)
celecoxib (Celebrex)
sildenafil (Viagra)
orforglipron
apixaban (Eliquis)
the gefitinib scaffold