PDB ligand accession: HUP
DrugBank: DB04864
PubChem:
ChEMBL:
InChI Key: ZRJBHWIHUMBLCN-YQEJDHNASA-N
SMILES: CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Quinolones and derivatives
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P22303_HUP | P22303 | inhibitor | Ki(nM) = 4.6 IC50(nM) = 47.0 |
2 | P04058_HUP | P04058 | n/a | Ki(nM) = 175.0 IC50(nM) = 414.0 |