PDB ligand accession: CGE
DrugBank: DB00758
PubChem:
ChEMBL:
InChI Key: GKTWGGQPFAXNFI-HNNXBMFYSA-N
SMILES: COC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2
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 | Protein name | Drug Action | Affinity data |
---|---|---|---|---|---|
1 | Q9H244_CGE | Q9H244 | P2Y purinoceptor 12 | antagonist | IC50(nM) = 2400.0 |
2 | P00178_CGE | P00178 | Cytochrome P450 2B4 | n/a |