Ligand name: (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE
PDB ligand accession: ANJ
DrugBank: n/a
PubChem: 23629646
ChEMBL: n/a
InChI Key: UPHOMQADKXDOFD-UKHQZXFMSA-N
SMILES: CCCCCCC1C(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 Q02761

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KLI	Download	Experimental	e5kliA1 e5kliE1 e5kliK2 e5kliO2	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
2QJK	Download	Experimental	e2qjkA2 e2qjkD2 e2qjkG2 e2qjkJ2 e2qjkM2 e2qjkP2	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
2QJP	Download	Experimental	e2qjpA2 e2qjpD2 e2qjpG2 e2qjpJ2	Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot