Ligand name: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
PDB ligand accession: 09I
DrugBank: n/a
PubChem: 137347843;146029523;
ChEMBL: CHEMBL4207715
InChI Key: ITMHCPYYAUUUAC-UHFFFAOYSA-N
SMILES: c1cc2c(cc(o2)c3c(nc(c(n3)C(=O)NC(=N)N)N)N4CCCCCC4)c(c1)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzofurans
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00749

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ZC5	Download	Experimental	e5zc5U1	cradle loop barrel	LigPlot