Ligand name: (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
PDB ligand accession: 3YI
DrugBank: n/a
PubChem: 6438444
ChEMBL: CHEMBL3323549
InChI Key: BBNQHOMJRFAQBN-UPZFVJMDSA-N
SMILES: Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O
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 P68440

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6BEF	Download	Experimental	e6befA1 e6befA2 e6befB1 e6befB2 e6befC1 e6befC2	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot