Ligand name: N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
PDB ligand accession: MRJ
DrugBank: n/a
PubChem: 146035903
ChEMBL: n/a
InChI Key: HNUNEXIROQFTBE-NRFANRHFSA-N
SMILES: CCCCCCCCCCCC(=O)NCCNC(=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 P0A6A8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OKF	Download	Experimental	e6okfA1 e6okfA2 e6okfB1 e6okfD1 e6okfA1 e6okfA2 e6okfB1 e6okfB2 e6okfC1	Thiolase-like Thiolase-like Thiolase-like ACP-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like ACP-like	LigPlot
6OKC	Download	Experimental	e6okcA1 e6okcA2 e6okcB1 e6okcD1 e6okcA1 e6okcA2 e6okcC1 e6okcB1 e6okcB2	Thiolase-like Thiolase-like Thiolase-like ACP-like Thiolase-like Thiolase-like ACP-like Thiolase-like Thiolase-like	LigPlot
6OLT	Download	Experimental	e6oltA1 e6oltA2 e6oltB1	Thiolase-like Thiolase-like ACP-like	LigPlot