Ligand name: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
PDB ligand accession: G39
DrugBank: DB02600
PubChem: 449381;44310478;
ChEMBL: CHEMBL674
InChI Key: NENPYTRHICXVCS-YNEHKIRRSA-N
SMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)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 C9EKP8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5NWE	Download	Experimental	e5nweA1 e5nweB1 e5nweC1 e5nweD1	beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot