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 Q9NXA8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6EQS	Download	Experimental	e6eqsA2 e6eqsB1 e6eqsC1 e6eqsD1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot