PDB ligand accession: TOH
DrugBank: DB08636
PubChem:
ChEMBL: n/a
InChI Key: HMXOGGUFCBUALL-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C=CC(=O)C(=O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Cinnamic acids and derivatives
- Subclass: Hydroxycinnamic acids and derivatives
- Class: Cinnamic acids and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2IMD | Download | Experimental | e2imdA1 e2imdA2 | Thioredoxin-like Insertion subdomain in DsbA-like | LigPlot |
2IME | Download | Experimental | e2imeA1 e2imeA2 | Insertion subdomain in DsbA-like Thioredoxin-like | LigPlot |