Ligand name: 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER
PDB ligand accession: ANY
DrugBank: n/a
PubChem: 5287683
ChEMBL: n/a
InChI Key: BSSBWOQOFMLGAF-GMRPKDQWSA-N
SMILES: CCCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)C(C)CC
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 P18946

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3H1I	Download	Experimental	e3h1iC2 e3h1iP2	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot