Ligand name: 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
PDB ligand accession: BWY
DrugBank: n/a
PubChem: 68313143
ChEMBL: CHEMBL4175041
InChI Key: HUAOHTKULCUTBL-UMSFTDKQSA-N
SMILES: CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

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
6AUD	Download	Experimental	e6audA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot