Ligand name: N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide
PDB ligand accession: 5PW
DrugBank: n/a
PubChem: 731719
ChEMBL: CHEMBL1213041
InChI Key: XARDSBCDZPSYTN-UHFFFAOYSA-N
SMILES: CC(=O)Nc1nc2ccc(cc2s1)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiazoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q13627

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5A54	Download	Experimental	e5a54A1 e5a54B1 e5a54C1 e5a54D1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot