Ligand name: [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone
PDB ligand accession: 2R2
DrugBank: n/a
PubChem: 91971253
ChEMBL: CHEMBL3741545
InChI Key: AOMUWGOWJLARPE-UHFFFAOYSA-N
SMILES: Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F
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 P9WJF1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4PFD	Download	Experimental	e4pfdA1 e4pfdA2 e4pfdB1 e4pfdB2	FAD-binding domain-like Alpha-beta plaits Alpha-beta plaits FAD-binding domain-like	LigPlot