Ligand name: (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
PDB ligand accession: LVA
DrugBank: DB03785
PubChem: 64727
ChEMBL: CHEMBL1201373
InChI Key: QLJODMDSTUBWDW-BXMDZJJMSA-N
SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Hydroxy acids and derivatives
      • Subclass: Medium-chain hydroxy acids and derivatives

List of PDB structures and/or AlphaFold models with target protein B6H6L7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6KJD	Download	Experimental	e6kjdB1 e6kjdA1	alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins	LigPlot