Ligand name: S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate
PDB ligand accession: 66S
DrugBank: n/a
PubChem: 46846236
ChEMBL: n/a
InChI Key: JIQRMRIKUIPMRV-KRWDZBQOSA-N
SMILES: CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=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 A0A0B2E3F3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7E1S	Download	Experimental	e7e1sA1 e7e1sB1 e7e1sC1 e7e1sD1	TIM beta/alpha-barrel ACP-like TIM beta/alpha-barrel ACP-like	LigPlot