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: inhibitor

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 P05091

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1O01	Download	Experimental	e1o01B1 e1o01B2 e1o01C1 e1o01C2 e1o01D1 e1o01D2 e1o01E1 e1o01E2 e1o01F1 e1o01F2 e1o01G1 e1o01G2	ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like ALDH-like	LigPlot