Ligand name: (E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE
PDB ligand accession: TDE
DrugBank: DB03396
PubChem: 448235
ChEMBL: CHEMBL1236230
InChI Key: FVBBTOIQETYGOA-SDNORSGYSA-N
SMILES: CC(C)(C)C=CC(C(C(C(C(=O)NC1CCC(CNC1=O)O)OC)O)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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P50579

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1QZY	Download	Experimental	e1qzyA1 e1qzyA2	HTH Creatinase/aminopeptidase-like	LigPlot