Ligand name: (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid
PDB ligand accession: 114
DrugBank: n/a
PubChem: 446154
ChEMBL: CHEMBL503456
InChI Key: BOZILQFLQYBIIY-INTXDZFKSA-N
SMILES: CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O
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 P04035

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1HW8	Download	Experimental	e1hw8A1 e1hw8B2 e1hw8A2 e1hw8B1 e1hw8B2 e1hw8A2 e1hw8C1 e1hw8D2 e1hw8D1 e1hw8D2 e1hw8C2	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot