Ligand name: 1,3-BIS[5(DIETHYL-O-NITROBENZYLAMMONIUM)PENTYL]-6-METHYLURACIL
PDB ligand accession: G0W
DrugBank: n/a
PubChem: 10372410
ChEMBL: CHEMBL3623902
InChI Key: WLTAFWKKNBLBHO-UHFFFAOYSA-N
SMILES: CC[N+](CC)(CCCCCN1C(=CC(=O)N(C1=O)CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])C)Cc3ccccc3[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P21836

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5FKJ	Download	Experimental	e5fkjA1 e5fkjD1 e5fkjB1 e5fkjB1 e5fkjC1 e5fkjD1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot