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 P0A6A8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5USR	Download	Experimental	e5usrI1 e5usrF1 e5usrE3 e5usrG1 e5usrJ1 e5usrH1 e5usrA2 e5usrK1 e5usrB1 e5usrC1 e5usrD1 e5usrL1	ACP-like LYR protein PLP-dependent transferases PLP-dependent transferases ACP-like LYR protein PLP-dependent transferases ACP-like LYR protein PLP-dependent transferases LYR protein ACP-like	LigPlot