Ligand name: 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate
PDB ligand accession: ENW
DrugBank: n/a
PubChem: 49866948
ChEMBL: n/a
InChI Key: ONWRIDRSVIZQIL-LLVKDONJSA-N
SMILES: CC(C)(CO)C(C(=O)NCCC(=O)NCCOC(=O)CF)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 Q1EMV2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KW1	Download	Experimental	e3kw1C1 e3kw1D1 e3kw1E1 e3kw1F1	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot