Ligand name: N-({(1S)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glutamic acid
PDB ligand accession: J37
DrugBank: n/a
PubChem: 137349577
ChEMBL: n/a
InChI Key: BWJXSXULCISGDF-CRIRDAMVSA-N
SMILES: c1cc(ccc1CN(CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCC2C3C(CS2)NC(=O)N3)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
4NGQ	Download	Experimental	e4ngqA1 e4ngqA2 e4ngqA3	The "swivelling" beta/beta/alpha domains Phosphorylase/hydrolase-like N-cbl like	LigPlot