PDB ligand accession: IX1
DrugBank: DB08001
PubChem:
ChEMBL:
InChI Key: DQSRCEFDWMQCCV-GQCTYLIASA-N
SMILES: COC(=O)c1c(cccc1OCC=Cc2cccc(c2)c3c(c(no3)C(=O)O)CO)O
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P18031_IX1 | P18031 | n/a | Ki(nM) = 0.92 IC50(nM) = 920.0 |