Ligand name: [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
PDB ligand accession: AWB
DrugBank: n/a
PubChem: 14957
ChEMBL: CHEMBL211501
InChI Key: UIFFUZWRFRDZJC-SBOOETFBSA-N
SMILES: CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q9B6D0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8ABJ	Download	Experimental	e8abjC2 e8abjN2	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
8ABH	Download	Experimental	e8abhC2 e8abhN1	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
8ABI	Download	Experimental	e8abiC2 e8abiN2	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
8AB7	Download	Experimental	e8ab7C1 e8ab7N1	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
8ABL	Download	Experimental	e8ablC1 e8ablN1	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot