Ligand name: 1-{3-[(3-ethynylbenzyl)amino]propyl}-3-thiophen-3-ylurea
PDB ligand accession: 2EJ
DrugBank: n/a
PubChem: 73659158
ChEMBL: n/a
InChI Key: NIXVRUOYNFTKQD-UHFFFAOYSA-N
SMILES: C#Cc1cccc(c1)CNCCCNC(=O)Nc2ccsc2
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q38C91

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MW9	Download	Experimental	e4mw9B2	HUP domain-like	LigPlot