PDBeSearch Get Compound

Get PDB ligand/compound information by compound ID from PDBe. Returns chemical name, formula, molecular weight, InChI, InChI key, SMILES, and systematic names. Useful for looking up small molecules that co-crystallize with proteins. Example: 'ATP' returns adenosine-5'-triphosphate (C10H16N5O13P3, MW 507.18); 'HEM' returns protoporphyrin IX containing iron.