Ligand name: (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
PDB ligand accession: 4NK
DrugBank: n/a
PubChem: 91809509
ChEMBL: n/a
InChI Key: SJHLSLUUWIBQNS-HBCRSHFUSA-P
SMILES: C[N+](C)(C)C(Cc1c[nH]c(n1)S(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)[NH3+])C(=O)O

ClassyFire chemical classification:

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

List of proteins that are targets for 4NK

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	A0R5M9_4NK	A0R5M9	n/a