Ligand name: 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
PDB ligand accession: 76Z
DrugBank: n/a
PubChem: 71714694
ChEMBL: CHEMBL3692359
InChI Key: CMHKURIYUXPNNR-UHFFFAOYSA-N
SMILES: CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Carboxylic acid derivatives

List of PDB structures and/or AlphaFold models with target protein Q9WUL6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5T8O	Download	Experimental	e5t8oA1 e5t8oB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot