Ligand name: N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
PDB ligand accession: 1R3
DrugBank: n/a
PubChem: 137347984
ChEMBL: n/a
InChI Key: ZGCXUZRDGZYOOW-IBGZPJMESA-N
SMILES: CCCCCCCCCS(CCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)(O)O
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 P0A6Q3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KEH	Download	Experimental	e4kehA1 e4kehC1 e4kehB1 e4kehA1 e4kehB1 e4kehD1	Thioesterase/thiol ester dehydrase-isomerase-like ACP-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like ACP-like	LigPlot