Chemical Component Search Tools

Use the forms below to search for chemical components within the PDB Component Dictionary.

• Search for chemical components by 3-letter component identifier code, molecular name, molecular formula, SMILES description, or InChi/InChiKey chemical description.
You can also check to see if a 3-letter code is being held by a deposition in progress.
• Either start with a SMILES description or chemical data file (see drop-menu for acceptable formats), or draw a 2D chemical structure from scratch (Launch without input). It can also generate chemical component definitions from your 2D structure.
• Search for instances of a chemical component throughout the PDB. The Display option allows you to simply see a list of PDB codes, or to download these coordinates in PDB, MOL/SDF and mmCIF formats.
• You can also search for analogs to the standard amino acids, nucleotides, popular drugs, and common aromatic ring systems by using the Browse feature in the top menu bar.

Your query results are also searchable! Each hit from your initial query will contain links to continue searching by similar name, chemical formula, or structure (SMILES).

Molecular name, formula, and descriptor search options

Search term    Search type Component identifier (3-letter code) Similar to component (3-letter code) Formula (all atom exact) Formula (heavy atom exact) Formula (exact subset) Formula (subset) Formula (close) Molecular name (exact) Molecular name (exact sub-string) Molecular name (similar) SMILES Chemically similar to SMILES InChI InChIKey

Search for instances of chemical components by 3-letter ID code

Component ID code   Display PDB entry codes + coordinate files

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