Ligand name: N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE
PDB ligand accession: C15
DrugBank: DB02643
PubChem: 84704;101619250;
ChEMBL: n/a
InChI Key: IZWSFJTYBVKZNK-UHFFFAOYSA-O
SMILES: CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Organic sulfonic acids and derivatives
      • Subclass: Organosulfonic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6EMH	Download	Experimental	e6emhA1 e6emhC1 e6emhB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6EQ9	Download	Experimental	e6eq9A1 e6eq9B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8BZP	Download	Experimental	e8bzpA1 e8bzpB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot