Ligand name: (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione
PDB ligand accession: BAV
DrugBank: n/a
PubChem: 25163982
ChEMBL: CHEMBL564010
InChI Key: LHBBUGLYVFZUTH-GXVHRJHYSA-N
SMILES: CC1CCCCCCCCC(=O)N(C(C(=O)NC(C1)C(CNCc2cccc(c2)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
5QDB	Download	Experimental	e5qdbA1 e5qdbA2 e5qdbB1 e5qdbB2 e5qdbC1 e5qdbC2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
3DV5	Download	Experimental	e3dv5A2 e3dv5A3 e3dv5B2 e3dv5B3 e3dv5C2 e3dv5C3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot