Ligand name: butyl 3,4,5-tris(oxidanyl)benzoate
PDB ligand accession: NF0
DrugBank: n/a
PubChem: 14128
ChEMBL: CHEMBL494005
InChI Key: XOPOEBVTQYAOSV-UHFFFAOYSA-N
SMILES: CCCCOC(=O)c1cc(c(c(c1)O)O)O
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 A0A0D6I3Y9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8I09	Download	Experimental	e8i09A2 e8i09B2 e8i09B2 e8i09C1 e8i09A2 e8i09C1 e8i09D1 e8i09E2 e8i09D1 e8i09F1 e8i09G1 e8i09H2 e8i09H2 e8i09I2 e8i09G1 e8i09I2 e8i09J1 e8i09K1 e8i09J1 e8i09L1	Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix Single-stranded left-handed beta-helix	LigPlot