Ligand name: BETAINE ALDEHYDE
PDB ligand accession: BTL
DrugBank: DB04401
PubChem: 249
ChEMBL: CHEMBL1231491
InChI Key: SXKNCCSPZDCRFD-UHFFFAOYSA-N
SMILES: C[N+](C)(C)CC=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Quaternary ammonium salts

List of PDB structures and/or AlphaFold models with target protein Q30W70

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ND3	Download	Experimental	e6nd3A1 e6nd3B1 e6nd3C1 e6nd3D1 e6nd3E1 e6nd3F1 e6nd3G1 e6nd3H1	Ten stranded beta/alpha barrel Ten stranded beta/alpha barrel Ten stranded beta/alpha barrel Ten stranded beta/alpha barrel Ten stranded beta/alpha barrel Ten stranded beta/alpha barrel Ten stranded beta/alpha barrel Ten stranded beta/alpha barrel	LigPlot