Ligand name: 2-(3,4-dimethoxyphenyl)ethanamide
PDB ligand accession: E9I
DrugBank: n/a
PubChem: 79746
ChEMBL: CHEMBL1979926
InChI Key: CUWOZWFDSYIYHL-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)CC(=O)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P0A9S2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7QLQ	Download	Experimental	e7qlqAAA1 e7qlqAAA2 e7qlqBBB1 e7qlqBBB2	Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes	LigPlot
7QLS	Download	Experimental	e7qlsAAA1 e7qlsAAA2 e7qlsBBB1 e7qlsBBB2	alpha-helical domain in dehydroquinate synthase-like enzymes Flavodoxin-like Flavodoxin-like alpha-helical domain in dehydroquinate synthase-like enzymes	LigPlot