Ligand name: 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide
PDB ligand accession: W19
DrugBank: n/a
PubChem: 71583657
ChEMBL: CHEMBL2348417
InChI Key: QHUDPFOODLMGQO-UHFFFAOYSA-N
SMILES: c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO
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 P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3W33	Download	Experimental	e3w33A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot