Ligand name: 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea
PDB ligand accession: P73
DrugBank: n/a
PubChem: 2810999
ChEMBL: CHEMBL1532400
InChI Key: JFNKIJKRXKPQCC-UHFFFAOYSA-N
SMILES: CC(C)c1cc(c(c(c1)Br)NC(=O)Nc2cccnc2)Br
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q6NYR1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8JV5	Download	Experimental	e8jv5A1 e8jv5B1 e8jv5C1 e8jv5B1 e8jv5C1 e8jv5A1	P2X purinoceptor P2X purinoceptor P2X purinoceptor P2X purinoceptor P2X purinoceptor P2X purinoceptor	LigPlot