Ligand name: 7-(diethylamino)-3-(thiophen-2-ylcarbonyl)-2H-chromen-2-one
PDB ligand accession: 3G8
DrugBank: n/a
PubChem: 342536
ChEMBL: CHEMBL1894621
InChI Key: HSYRYXPRQYPBBQ-UHFFFAOYSA-N
SMILES: CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Coumarins and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P9WQ80

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4W1W	Download	Experimental	e4w1wA1 e4w1wA2 e4w1wB2 e4w1wA2 e4w1wB1 e4w1wB2	C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases	LigPlot