Ligand name: 1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
PDB ligand accession: P68
DrugBank: n/a
PubChem: 72376513
ChEMBL: CHEMBL3329562
InChI Key: DSTKQECXQMKQLN-WSDLNYQXSA-N
SMILES: CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)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 Q81W29

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MY1	Download	Experimental	e4my1C1 e4my1A1 e4my1A1 e4my1B1 e4my1C1 e4my1D1 e4my1B1 e4my1D1 e4my1E1 e4my1F1 e4my1G1 e4my1H1 e4my1F1 e4my1H1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot