Ligand name: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, 6BETA, 6ABETA, 7BETA, 8ALPHA(Z), 9BALPHA]]-6-(ACETYLOXY)-2,3,-3A,4,5,6,6A,7,8,9B-DECAHYDRO-3,3A-DIHYDROXY-3,6,9-TRIMETHYL-8-[(2-METHYL-1-OXO-2-BUTENYL)OX Y]-2-OXO-4-(1-OXOBUTOXY)-AZULENO[4,5-B]FURAN-7-YL ESTER
PDB ligand accession: TG1
DrugBank: n/a
PubChem: 446378
ChEMBL: CHEMBL96926
InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N
SMILES: CCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Pentacarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein B6CAM1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UU0	Download	Experimental	e4uu0A2	Calcium ATPase transmembrane domain-related	LigPlot
4UU1	Download	Experimental	e4uu1A2	Calcium ATPase transmembrane domain-related	LigPlot