Ligand name: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
PDB ligand accession: PBD
DrugBank: n/a
PubChem: 6539196
ChEMBL: CHEMBL201747
InChI Key: FZQXMGLQANXZRP-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: N-phenylthioureas

List of PDB structures and/or AlphaFold models with target protein Q9NXS2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3PB7	Download	Experimental	e3pb7X1	Phosphorylase/hydrolase-like	LigPlot