Ligand name: 1,3-PROPANDIOL
PDB ligand accession: PDO
DrugBank: DB02774
PubChem: 10442
ChEMBL: CHEMBL379652
InChI Key: YPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES: C(CO)CO
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 Q2RGM7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6BUO	Download	Experimental	e6buoA3 e6buoC3 e6buoB1 e6buoC3	Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like	LigPlot
6BUP	Download	Experimental	e6bupA2 e6bupA3 e6bupB1 e6bupC1 e6bupC3	Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like	LigPlot
6CWJ	Download	Experimental	e6cwjB2 e6cwjB3	Bacillus chorismate mutase-like Bacillus chorismate mutase-like	LigPlot
6BUQ	Download	Experimental	e6buqA1 e6buqA2 e6buqA3 e6buqD2 e6buqD3 e6buqB1 e6buqB3 e6buqC1 e6buqC2 e6buqB1 e6buqB3 e6buqD1 e6buqD3	Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like	LigPlot
6BUN	Download	Experimental	e6bunA1 e6bunB2 e6bunB3 e6bunA1 e6bunA3 e6bunC2 e6bunC3 e6bunD1 e6bunD2 e6bunD3	Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like	LigPlot
6BUM	Download	Experimental	e6bumB1 e6bumA2 e6bumA3 e6bumD3 e6bumB3 e6bumA1 e6bumC3 e6bumD2 e6bumD3	Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like	LigPlot