Ligand name: 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
PDB ligand accession: CEH
DrugBank: DB02136
PubChem: 17753890
ChEMBL: n/a
InChI Key: PEUIVMLYMKXUBF-PULJXETJSA-N
SMILES: CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCC1=C(NC(SC1)C(C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for CEH

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P15555_CEH	P15555	n/a