science.pdb.ligand
Retrieve chemical component data for ligands and small molecules using their 3-letter PDB codes. Access molecular formulas, weights, SMILES/InChI descriptors, and other properties for ATP, HEM, NAG, drugs, cofactors, ions, and 40K+ entities in the Protein Data Bank.
Instructions
Get chemical component data for a ligand/small molecule by its 3-letter PDB code — name, molecular formula, weight, type, formal charge, heavy atom count, SMILES/InChI descriptors. Covers ATP, HEM, NAG, drug molecules, cofactors, ions, and 40K+ chemical entities in the PDB (RCSB PDB)
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| ligand_id | Yes | Chemical component identifier — standard 3-letter code (e.g. "ATP" for adenosine triphosphate, "HEM" for heme, "NAG" for N-acetylglucosamine, "ZN" for zinc ion) |