Ligand name: S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
PDB ligand accession: G9S
DrugBank: n/a
PubChem: 137628300
ChEMBL: n/a
InChI Key: JSWBEHRITPIXLC-RUZDIDTESA-N
SMILES: CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)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 G9S

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q9HUF7_G9S	Q9HUF7	Lipopolysaccharide core heptose(I)	n/a
2	B7MJ81_G9S	B7MJ81	Acyl carrier protein	n/a