PDB ligand accession: I45
DrugBank: DB07941
PubChem:
ChEMBL:
InChI Key: KCAJXIDMCNPGHZ-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC
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 | Q16539_I45 | Q16539 | n/a | Ki(nM) = 2.9 IC50(nM) = 1.1 Kd(nM) = 2.5 |