Ligand name: (1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
PDB ligand accession: U9B
DrugBank: n/a
PubChem: 155883044
ChEMBL: n/a
InChI Key: ZNSVXALGZJWZDW-INIZCTEOSA-P
SMILES: c1ccc(cc1)C[NH+]2CCP(=O)(C(C2)(CCCC[NH3+])C(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q96IY4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7NEE	Download	Experimental	e7neeA1 e7neeA2	Phosphorylase/hydrolase-like Alpha-beta plaits	LigPlot