PDB ligand accession: CGS
DrugBank: DB07556
PubChem:
ChEMBL:
InChI Key: BSIZUMJRKYHEBR-QGZVFWFLSA-N
SMILES: CC(C)C(C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC
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 | P39900_CGS | P39900 | n/a | |
2 | P03956_CGS | P03956 | inhibitor | Ki(nM) = 33.0 IC50(nM) = 2.5 |