Ligand name: (3S,14R,16S)-16-[(1R)-2-{[(4S)-2,2-dimethyl-6-(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]amino}-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
PDB ligand accession: E6V
DrugBank: n/a
PubChem: 42636932
ChEMBL: CHEMBL558488
InChI Key: MNENNUUKHSBOKZ-BEOVBFIISA-N
SMILES: CC1CCCCCCCCC(=O)N(C(C(=O)NC(C1)C(CNC2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolactams
      • Subclass: None

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
5QD8	Download	Experimental	e5qd8A1 e5qd8A2 e5qd8B1 e5qd8B2 e5qd8C1 e5qd8C2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot