Ligand name: (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
PDB ligand accession: JLE
DrugBank: n/a
PubChem: 135340006
ChEMBL: CHEMBL4436725
InChI Key: IZDAFHXFYWJQKU-LJQANCHMSA-N
SMILES: CCc1c(c2c(ncnc2s1)NC(Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5
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 P0AEY0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QYL	Download	Experimental	e6qylA3	Toxins' membrane translocation domains	LigPlot
6QZ7	Download	Experimental	e6qz7A1	Toxins' membrane translocation domains	LigPlot