Ligand name: (S)-IBUPROFENOYL-COENZYME A
PDB ligand accession: SFC
DrugBank: n/a
PubChem: 49867642
ChEMBL: n/a
InChI Key: NXIKDQUQQHUCJH-MIXAKNBRSA-O
SMILES: CC(C)Cc1ccc(cc1)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein O06543

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2GCE	Download	Experimental	e2gceA1 e2gceB1 e2gceD1 e2gceC1	SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF) SurE-like/CoA-transferase family III (CaiB/BaiF)	LigPlot