Ligand name: (3S)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)butan-2-one
PDB ligand accession: 0VD
DrugBank: n/a
PubChem: 16750573
ChEMBL: CHEMBL1186772
InChI Key: JPAWSYOZOLVNBT-IBGZPJMESA-N
SMILES: c1ccc(cc1)COc2ccc(cc2)CC(=O)C(Cc3c[nH]cn3)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenol ethers
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q8G2R2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4G09	Download	Experimental	e4g09A1 e4g09A2	ALDH-like ALDH-like	LigPlot