Ligand name: 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
PDB ligand accession: K4P
DrugBank: n/a
PubChem: 71494937
ChEMBL: CHEMBL4467259
InChI Key: ATSKNKMCQXHIRK-UHFFFAOYSA-N
SMILES: B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)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 Q66N85

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MVO	Download	Experimental	e6mvoA1 e6mvoA2 e6mvoB1 e6mvoB2	Alpha-beta plaits helical bundle domain in reverse transcriptase-like polymerases helical bundle domain in reverse transcriptase-like polymerases Alpha-beta plaits	LigPlot