Ligand name: N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
PDB ligand accession: C39
DrugBank: n/a
PubChem: 9805752
ChEMBL: n/a
InChI Key: JYPXLSXKONMTFW-HTDNTCHWSA-N
SMILES: CCCCNC(=O)C(C)CC(C(CC(CNC(=O)c1ccccc1OCCCOC)C(C)C)N)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 P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2V12	Download	Experimental	e2v12C2 e2v12C3 e2v12O2 e2v12O3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot