PDB ligand accession: AGG
DrugBank: DB00775
PubChem: 60947;40466968;
ChEMBL:
InChI Key: COKMIXFXJJXBQG-NRFANRHFSA-N
SMILES: CCCCS(=O)(=O)NC(Cc1ccc(cc1)OCCCCC2CCNCC2)C(=O)O
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 | P05106_AGG | P05106 | antagonist | IC50(nM) = 11.0 |
2 | P08514_AGG | P08514 | antagonist | IC50(nM) = 0.37 Kd(nM) = 1.9 EC50(nM) = 13.6 |