Ligand name: [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
PDB ligand accession: 1PV
DrugBank: n/a
PubChem: 53354790
ChEMBL: CHEMBL3121193
InChI Key: GDSKPIAEYNJODX-UHFFFAOYSA-N
SMILES: B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(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 B1PPP0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KHM	Download	Experimental	e4khmA1 e4khmA2 e4khmB1 e4khmB2	helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits	LigPlot
4KHR	Download	Experimental	e4khrA1 e4khrA2	helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits	LigPlot