Ligand name: (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid
PDB ligand accession: K4M
DrugBank: n/a
PubChem: 139030270
ChEMBL: CHEMBL4451904
InChI Key: JILXKKKBOFQHHM-UHFFFAOYSA-N
SMILES: B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: 2-arylbenzofuran flavonoids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q99AU2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MVQ	Download	Experimental	e6mvqA1 e6mvqA2 e6mvqB1 e6mvqB2	Alpha-beta plaits helical bundle domain in reverse transcriptase-like polymerases helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits	LigPlot