Ligand name: N-{[(1S)-1-carboxy-5-{[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)benzoyl]amino}pentyl]carbamoyl}-L-glutamic acid
PDB ligand accession: J31
DrugBank: n/a
PubChem: 118706017
ChEMBL: CHEMBL3309673
InChI Key: ULKCTSJOJRHWDD-HJXABITDSA-N
SMILES: c1ccc(c(c1)C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3

ClassyFire chemical classification:

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

List of proteins that are targets for J31

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q04609_J31	Q04609	n/a