Ligand name: (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
PDB ligand accession: 2FF
DrugBank: DB06962
PubChem: 24180717
ChEMBL: CHEMBL255590
InChI Key: YKTUSHSSKIWDRY-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN
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 Q6B052

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2ZA5	Download	Experimental	e2za5A1 e2za5C1 e2za5B1 e2za5D1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot