Ligand name: 1-(2-{3-[(1E)-N-(2-aminoethoxy)ethanimidoyl]phenyl}propan-2-yl)-3-(4-chloro-3-nitrophenyl)urea
PDB ligand accession: I13
DrugBank: n/a
PubChem: 71457199
ChEMBL: CHEMBL2178623
InChI Key: MAIRRISEQUGPIE-DHRITJCHSA-N
SMILES: CC(=NOCCN)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl
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 Q8T6T2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4RV8	Download	Experimental	e4rv8A1 e4rv8D1 e4rv8B1 e4rv8C1 e4rv8C1 e4rv8D1	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