Ligand name: 1,3-BUTANEDIOL
PDB ligand accession: BU2
DrugBank: DB02202
PubChem: 446973
ChEMBL: CHEMBL1231501
InChI Key: PUPZLCDOIYMWBV-BYPYZUCNSA-N
SMILES: CC(CCO)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of PDB structures and/or AlphaFold models with target protein E1XUJ2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5I3T	Download	Experimental	e5i3tA1 e5i3tD1 e5i3tC1 e5i3tD1 e5i3tB1 e5i3tE1	Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot