Ligand name: (2E)-BUT-2-ENAL
PDB ligand accession: CRD
DrugBank: DB04381
PubChem: 447466
ChEMBL: CHEMBL1086445
InChI Key: MLUCVPSAIODCQM-NSCUHMNNSA-N
SMILES: CC=CC=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 Q9NTG7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ISO	Download	Experimental	e6isoA1 e6isoA2 e6isoB1 e6isoB2 e6isoE1 e6isoE2 e6isoG1 e6isoG2 e6isoK1 e6isoI1 e6isoI2	Rossmann-like Rubredoxin-like Rossmann-like Rubredoxin-like Rubredoxin-like Rossmann-like Rubredoxin-like Rossmann-like Rossmann-like Rossmann-like Rubredoxin-like	LigPlot