PDB ligand accession: IP7
DrugBank: DB07994
PubChem:
ChEMBL:
InChI Key: KMBPJSHPAXOXBT-UHFFFAOYSA-N
SMILES: c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
---|---|---|---|---|---|
1 | P56817_IP7 | P56817 | Beta-secretase 1 (EC | n/a | IC50(nM) = 4200.0 |