PDB ligand accession: 234
DrugBank: DB02014
PubChem:
ChEMBL:
InChI Key: QKHWJUMLYAYZFS-ONEGZZNKSA-N
SMILES: COC(=O)c1c(cccc1OCC=Cc2ccc(c(c2)c3cc(no3)C(=O)O)F)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_234 | P18031 | n/a | Ki(nM) = 6.9 IC50(nM) = 6900.0 |