PDB ligand accession: ROA
DrugBank: DB16865
PubChem:
ChEMBL:
InChI Key: DOUMFZQKYFQNTF-WUTVXBCWSA-N
SMILES: c1cc(c(cc1CC(C(=O)O)OC(=O)C=Cc2ccc(c(c2)O)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 |
---|---|---|---|---|---|
4PWI | Download | Experimental | e4pwiA1 e4pwiB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |