Ligand name: {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
PDB ligand accession: P27
DrugBank: DB02651
PubChem: 448024
ChEMBL: CHEMBL267048
InChI Key: BTAGTGWPDROBMG-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Linear 1,3-diarylpropanoids
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P18031

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1Q6M	Download	Experimental	e1q6mA1	Flavodoxin-like	LigPlot