Ligand name: 2-[(~{E},6~{S},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid
PDB ligand accession: C1U
DrugBank: n/a
PubChem: 146018247
ChEMBL: n/a
InChI Key: RSYOKTAWJDYBRR-PMRAARRBSA-N
SMILES: CC(CCCC(CCCC=Cc1cc(cc(c1C(=O)O)O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q8NKB0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JRD	Download	Experimental	e6jrdA1 e6jrdB1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot