Ligand name: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine
PDB ligand accession: X5V
DrugBank: n/a
PubChem: 9976806
ChEMBL: n/a
InChI Key: IKEPVTXZQSIGBO-KGLIPLIRSA-N
SMILES: c1cc(c(c(c1)O)O)C(=O)NC(C(Cc2ccc(cc2)N(=O)=O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein E2QMS9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8H9B	Download	Experimental	e8h9bA1	Class II aaRS and biotin synthetases	LigPlot
8H9A	Download	Experimental	e8h9aA1	Class II aaRS and biotin synthetases	LigPlot
8H9C	Download	Experimental	e8h9cA2	Class II aaRS and biotin synthetases	LigPlot