PDB ligand accession: BLN
DrugBank: DB03767
PubChem:
ChEMBL:
InChI Key: LXEDKIMJQBOMSU-MOPGFXCFSA-N
SMILES: CC(C)CC(C(=O)NC(COCc1ccccc1)C#N)NC(=O)N2CCOCC2
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P25774_BLN | P25774 | n/a | IC50(nM) = 19.0 Kd(nM) = 0.3 |