PDB ligand accession: 8NU
DrugBank: DB00734
PubChem:
ChEMBL:
InChI Key: RAPZEAPATHNIPO-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)c4c5ccc(cc5on4)F
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridopyrimidines
- Subclass: None
- Class: Pyridopyrimidines
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P14416_8NU | P14416 | antagonist | Ki(nM) = 0.3 IC50(nM) = 3.6 |
2 | P28223_8NU | P28223 | antagonist | Ki(nM) = 0.14 IC50(nM) = 0.707946 |