Ligand name: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
PDB ligand accession: 42X
DrugBank: n/a
PubChem: 114286455
ChEMBL: n/a
InChI Key: IEZRALNUCGHOKF-LBPRGKRZSA-N
SMILES: CCC(=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 Q54816

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XS9	Download	Experimental	e4xs9A2 e4xs9A3 e4xs9B2 e4xs9A2 e4xs9B1 e4xs9A3 e4xs9B2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot