Ligand name: N-{[(1S)-5-({[4-bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino)-1-carboxypentyl]carbamoyl}-L-glutamic acid
PDB ligand accession: J42
DrugBank: n/a
PubChem: 118706022
ChEMBL: CHEMBL3309681
InChI Key: GEHJWUZNJRAVQB-HJXABITDSA-N
SMILES: c1cc(c(cc1Br)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)NC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Biotin and derivatives
      • Subclass: None

List of proteins that are targets for J42

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q04609_J42	Q04609	n/a