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 Q950Z3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8B6F	Download	Experimental	e8b6fAO1	Nqo5-like	LigPlot
8BQS	Download	Experimental	e8bqsAO1	Nqo5-like	LigPlot