Ligand name: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
PDB ligand accession: FK5
DrugBank: DB00864
PubChem: 445643
ChEMBL: CHEMBL269732
InChI Key: QJJXYPPXXYFBGM-LFZNUXCKSA-N
SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein J3K5Z5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5B8I	Download	Experimental	e5b8iA1 e5b8iC1 e5b8iB2	Carbon-nitrogen hydrolase-like FKBP-like EF-hand	LigPlot