Ligand name: 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide
PDB ligand accession: 17V
DrugBank: n/a
PubChem: 57900314
ChEMBL: CHEMBL2322764
InChI Key: DJWGTNCIAUYYCQ-UHFFFAOYSA-N
SMILES: CC(C)n1c(ncn1)c2cc3c(s2)-c4ccc(cc4OCC3)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxepines
      • Subclass: Thienobenzoxepines

List of PDB structures and/or AlphaFold models with target protein P48736

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HLE	Download	Experimental	e4hleA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot