Ligand name: S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate
PDB ligand accession: KH4
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: MLKHCPZWKVOVCY-LBPRGKRZSA-N
SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)c1c[nH]cn1)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 F2YRY5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4PWV	Download	Experimental	e4pwvA1 e4pwvB1	Cytochrome P450 ACP-like	LigPlot
4PXH	Download	Experimental	e4pxhB1 e4pxhA1 e4pxhC1 e4pxhD1 e4pxhE1 e4pxhF1	ACP-like Cytochrome P450 Cytochrome P450 ACP-like Cytochrome P450 ACP-like	LigPlot