Ligand name: N~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-N~2~,N~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide
PDB ligand accession: 3T8
DrugBank: n/a
PubChem: 44242776
ChEMBL: CHEMBL1950037
InChI Key: TVUWQOATJJJPPP-UHFFFAOYSA-N
SMILES: CNC(=O)c1ccc-2c(c1)OCCc3c2sc(c3)C(=O)N(C)c4ccc(cc4Cl)C(=O)N5CCN(CC5)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Anilides

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
3T8M	Download	Experimental	e3t8mA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot