Ligand name: IBUPROFEN
PDB ligand accession: IBP
DrugBank: DB09213
PubChem: 39912
ChEMBL: CHEMBL175
InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N
SMILES: CC(C)Cc1ccc(cc1)C(C)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Phenylpropanoic acids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q08AH3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WD9	Download	Experimental	e2wd9A2 e2wd9A3 e2wd9B2 e2wd9B3 e2wd9C2 e2wd9C3	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot