Ligand name: S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate
PDB ligand accession: 8Q1
DrugBank: n/a
PubChem: 119058169
ChEMBL: n/a
InChI Key: MVHUOSAYFQKAMT-NRFANRHFSA-N
SMILES: CCCCCCCCCCCC(=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: Organic phosphoric acids and derivatives
      • Subclass: Phosphate esters

List of PDB structures and/or AlphaFold models with target protein O14561

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XTD	Download	Experimental	e5xtdE1 e5xtdG1 e5xtdX1 e5xtdp1	LYR protein ACP-like ACP-like LYR protein	LigPlot
7PO4	Download	Experimental	e7po4za1 e7po4zb1 e7po4zc1	Nucleotidyltransferase-like LYR protein ACP-like	LigPlot
6ODD	Download	Experimental	e6oddA1 e6oddB1	ACP-like LYR protein	LigPlot
5XTI	Download	Experimental	e5xtiE1 e5xtiG1 e5xtiX1 e5xtip1 e5xtiBE1 e5xtiBG1 e5xtiBX1 e5xtiBp1	LYR protein ACP-like ACP-like LYR protein LYR protein ACP-like ACP-like LYR protein	LigPlot
5XTB	Download	Experimental	e5xtbE1 e5xtbG1	LYR protein ACP-like	LigPlot
5XTH	Download	Experimental	e5xthE1 e5xthG1 e5xthX1 e5xthp1	LYR protein ACP-like ACP-like LYR protein	LigPlot
5XTC	Download	Experimental	e5xtcX1 e5xtcp1	ACP-like LYR protein	LigPlot