Ligand name: ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate
PDB ligand accession: 3XG
DrugBank: n/a
PubChem: 5049161
ChEMBL: CHEMBL3416562
InChI Key: SKDRHRAYBYQVNU-UHFFFAOYSA-N
SMILES: CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thienopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00352

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4X4L	Download	Experimental	e4x4lA1 e4x4lA2	ALDH-like ALDH-like	LigPlot