Ligand name: (3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid
PDB ligand accession: AFY
DrugBank: n/a
PubChem: 132992900
ChEMBL: n/a
InChI Key: WYVQKYVITQEIME-ZDUSSCGKSA-N
SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC1(COC1)CC(=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 Q54816

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WGC	Download	Experimental	e5wgcA1 e5wgcA2 e5wgcB2 e5wgcB3	Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot