PDB to SMILES Converter

Paste PDB text and convert to SMILES with a best-effort resolver. For large proteins, use ligand-only PDB blocks.

File Format Explained

PDB stores 3D atom coordinates, residue names, chains, occupancy, B-factor, and element data. It is common for proteins, ligands, crystal structures, and molecular visualization.

SMILES stores a molecule as a compact line of connectivity text. It is best for small molecules and ligands, not full protein macromolecules.

For best results, convert ligand-only PDB blocks. Protein PDB files often contain many residues and missing bond-order information, so a direct PDB to SMILES conversion can be ambiguous.