Ligand name: 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate
PDB ligand accession: 5JN
DrugBank: n/a
PubChem: 91810842
ChEMBL: n/a
InChI Key: TVDZEGBJVSYGIU-UHFFFAOYSA-N
SMILES: Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P68871

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5E29	Download	Experimental	e5e29C1 e5e29A1 e5e29B1	Globin-like Globin-like Globin-like	LigPlot