Ligand name: ISOLEUCINE
PDB ligand accession: ILE
DrugBank: DB00167
PubChem: 6306;7043901;
ChEMBL: CHEMBL1233584
InChI Key: AGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES: CCC(C)C(C(=O)O)N
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 Q9SKE2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ECL	Download	Experimental	e5eclA2 e5eclA3 e5eclD1 e5eclD3	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot
5ECK	Download	Experimental	e5eckA2 e5eckA3 e5eckD1 e5eckD2	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot