Ligand name: 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
PDB ligand accession: 53N
DrugBank: DB07139
PubChem: 25210476
ChEMBL: n/a
InChI Key: IHKCOKRMJRDWAL-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P15121

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YU1	Download	Experimental	e4yu1A1	TIM beta/alpha-barrel	LigPlot
3DN5	Download	Experimental	e3dn5A1	TIM beta/alpha-barrel	LigPlot