PDB ligand accession: PQB
DrugBank: DB08424
PubChem:
ChEMBL:
InChI Key: IJDQETGUEUJVTB-HNNXBMFYSA-N
SMILES: c1cc(cc(c1)OCC(CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoyl derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | Q16539_PQB | Q16539 | inhibitor | IC50(nM) = 180.0 |