Ligand name: (2R,4S,5S)-N-butyl-4-hydroxy-2,7-dimethyl-5-{[N-(4-methylpentanoyl)-L-methionyl]amino}octanamide
PDB ligand accession: AFJ
DrugBank: n/a
PubChem: 25163980
ChEMBL: CHEMBL461606
InChI Key: XTRMRNMVFXWTCC-MLNNCEHLSA-N
SMILES: CCCCNC(=O)C(C)CC(C(CC(C)C)NC(=O)C(CCSC)NC(=O)CCC(C)C)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 P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DUY	Download	Experimental	e3duyA2 e3duyA3 e3duyB2 e3duyB3 e3duyC2 e3duyC3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
5QCQ	Download	Experimental	e5qcqA1 e5qcqA2 e5qcqB1 e5qcqB2 e5qcqC1 e5qcqC2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot