Ligand name: (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide
PDB ligand accession: K1B
DrugBank: n/a
PubChem: 146018265
ChEMBL: CHEMBL4798710
InChI Key: PPZONJBKAANLPU-XVNBXDOJSA-N
SMILES: c1cc(c(cc1C=C(C#N)C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: Hydroxycinnamic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RFF	Download	Experimental	e6rffA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot