Ligand name: S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate
PDB ligand accession: 1F7
DrugBank: n/a
PubChem: 71777704
ChEMBL: n/a
InChI Key: JYSKQPQRUCZFIQ-NFBKMPQASA-N
SMILES: CCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=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 P21645

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4IHF	Download	Experimental	e4ihfD1 e4ihfE1 e4ihfF1 e4ihfG1 e4ihfD1 e4ihfE1 e4ihfF1 e4ihfH1 e4ihfA1 e4ihfB1 e4ihfC1 e4ihfI1 e4ihfA1 e4ihfB1 e4ihfC1 e4ihfJ1 e4ihfD1 e4ihfE1 e4ihfF1 e4ihfK1 e4ihfA1 e4ihfB1 e4ihfC1 e4ihfL1	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix ACP-like Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix ACP-like Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix ACP-like Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix ACP-like Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix ACP-like Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix ACP-like	LigPlot