Partial string search
Ligand name searching supports partial string matches. For example, searching for 'benz' will return all structures that contain benzene as well as those containing benzamidine.
Exact match search
For an exact match, the complete name of the ligand must be entered. Ligand searches can also be performed using the three-character ligand ID in the PDB file (the "HET" record). For example, searching for 'HEM' returns all structures that have a heme ligand.
MarvinSketch search
The PDB can be searched for structures containing the same ligand by drawing a ligand in MarvinSketch (provided by ChemAxon)
SMILES string search
SMILES (Simplified Molecular Input Line Entry Specification) is a comprehensive nomenclature system for chemicals.
eg.SMILES string for benzene:C1=CC=CC=C1 or c1ccccc1
SMILES search feature is the ability to query for ligands using a SMILES string representation
Go to PDB Ligand search
Partial string search