Ligand name: 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
PDB ligand accession: J6D
DrugBank: n/a
PubChem: 134828054
ChEMBL: CHEMBL4549638
InChI Key: AWFOIGBVORNGMF-UHFFFAOYSA-N
SMILES: CCN(c1cc2c(cc1c3cccc(c3)C(=O)NC4(CC4)c5ncccn5)c(c(o2)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C
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 R9THT8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5QJ0	Download	Experimental	e5qj0A1 e5qj0A2	Alpha-beta plaits helical bundle domain in reverse transcriptase-like polymerases	LigPlot