Ligand name: 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
PDB ligand accession: P9A
DrugBank: DB08366
PubChem: 16086836
ChEMBL: CHEMBL1235122
InChI Key: XADCWKSMHQPTGH-OFBLZTNGSA-N
SMILES: CC12CC34CCC(=O)C(C3C(O1)CC2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=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 P0AAI5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3G0Y	Download	Experimental	e3g0yA1 e3g0yA2	Thiolase-like Thiolase-like	LigPlot