PDB ligand accession: THA
DrugBank: DB00382
PubChem:
ChEMBL:
InChI Key: YLJREFDVOIBQDA-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(c3c(n2)CCCC3)N
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Benzoquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P06276_THA | P06276 | inhibitor | Ki(nM) = 7.0 IC50(nM) = 0.0267 |
2 | P23141_THA | P23141 | n/a | Ki(nM) = 100000.0 IC50(nM) = 100000.0 |
3 | P22303_THA | P22303 | inhibitor | Ki(nM) = 6.9 IC50(nM) = 3.16 |
4 | P04058_THA | P04058 | n/a | Ki(nM) = 40.0 IC50(nM) = 8.2 |
5 | P50135_THA | P50135 | n/a |