Ligand name: FURFURAL
PDB ligand accession: FU2
DrugBank: DB16856
PubChem: 7362
ChEMBL: CHEMBL189362
InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N
SMILES: c1cc(oc1)C=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein Q46UZ9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3S2F	Download	Experimental	e3s2fC2 e3s2fE1 e3s2fE2 e3s2fF1 e3s2fF2 e3s2fD2 e3s2fG1 e3s2fG2 e3s2fA2 e3s2fB2 e3s2fH1 e3s2fH2	Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like	LigPlot
3S2I	Download	Experimental	e3s2iA1 e3s2iA2 e3s2iG2 e3s2iH2 e3s2iB1 e3s2iB2 e3s2iE2 e3s2iC1 e3s2iC2 e3s2iF2 e3s2iD1 e3s2iD2 e3s2iE1 e3s2iE2 e3s2iC2 e3s2iF1 e3s2iF2 e3s2iD2	GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like	LigPlot
3S2G	Download	Experimental	e3s2gA1 e3s2gA2 e3s2gG2 e3s2gH2 e3s2gB1 e3s2gB2 e3s2gC1 e3s2gC2 e3s2gE2 e3s2gF2 e3s2gD1 e3s2gD2 e3s2gC2 e3s2gE1 e3s2gE2 e3s2gF1 e3s2gF2 e3s2gD2 e3s2gA2 e3s2gG1 e3s2gG2	GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like GroES-like Rossmann-like Rossmann-like Rossmann-like GroES-like Rossmann-like	LigPlot