Ligand name: 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
PDB ligand accession: 2F0
DrugBank: n/a
PubChem: 71460873
ChEMBL: CHEMBL2178617
InChI Key: NRJRCKIOCQMNMC-BHGWPJFGSA-N
SMILES: CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N)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 Q81W29

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MYX	Download	Experimental	e4myxA1 e4myxC1 e4myxA1 e4myxB1 e4myxC1 e4myxD1 e4myxD1 e4myxB1 e4myxE1 e4myxG1 e4myxF1 e4myxH1 e4myxG1 e4myxH1	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