Ligand name: N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
PDB ligand accession: IXS
DrugBank: n/a
PubChem: 23644701
ChEMBL: CHEMBL379513
InChI Key: FZTXBRKPIRTQCY-QEGDFHJFSA-N
SMILES: CC(C)CNC(=O)C(C)NCC(Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(C)c3ccc(cc3)F

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of proteins that are targets for IXS

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P56817_IXS	P56817	n/a