PDB ligand accession: JK3
DrugBank: DB08021
PubChem:
ChEMBL:
InChI Key: MEFJFXHHHNDHEN-UHFFFAOYSA-N
SMILES: C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P53779_JK3 | P53779 | n/a | IC50(nM) = 160.0 |