Ligand name: N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
PDB ligand accession: XAG
DrugBank: n/a
PubChem: 155818547
ChEMBL: n/a
InChI Key: CPTLMEGLDSUUPJ-NSHDSACASA-N
SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCCN)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 Q47NR9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7KW0	Download	Experimental	e7kw0A1 e7kw0B1	ACP-like ACP-like	LigPlot