Ligand name: N-{[(1S)-5-({2-[2-(acetylamino)ethoxy]-4-bromobenzoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid
PDB ligand accession: J21
DrugBank: n/a
PubChem: 74627717
ChEMBL: CHEMBL3309676
InChI Key: GEZLVAJRFLXCLD-IRXDYDNUSA-N
SMILES: CC(=O)NCCOc1cc(ccc1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)Br
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q04609

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NGR	Download	Experimental	e4ngrA1 e4ngrA2 e4ngrA3	The "swivelling" beta/beta/alpha domains Phosphorylase/hydrolase-like N-cbl like	LigPlot