Ligand name: oxo(propan-2-ylamino)acetic acid
PDB ligand accession: 40E
DrugBank: n/a
PubChem: 7183008
ChEMBL: CHEMBL4764445
InChI Key: KBMFHCMLHQGQEB-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q2YUF3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6AQJ	Download	Experimental	e6aqjA1 e6aqjA2 e6aqjB2 e6aqjA2 e6aqjB1 e6aqjB2	Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like	LigPlot