PDB ligand accession: 8MO
DrugBank: DB00553
PubChem:
ChEMBL:
InChI Key: QXKHYNVANLEOEG-UHFFFAOYSA-N
SMILES: COc1c2c(cco2)cc3c1OC(=O)C=C3
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: Furanocoumarins
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P11509_8MO | P11509 | binder | Ki(nM) = 90.0 IC50(nM) = 460.0 Kd(nM) = 11000.0 |