Ligand name: methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate
PDB ligand accession: D77
DrugBank: n/a
PubChem: 137349161
ChEMBL: CHEMBL4639420
InChI Key: KPDKPRCLDGTNFK-UUNAQHPASA-N
SMILES: CC(C(C(=O)OC)O)(C12C3C#CC=CC#CC(C1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Hydroxysteroids

List of PDB structures and/or AlphaFold models with target protein A0A125SA29

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6BBX	Download	Experimental	e6bbxA1 e6bbxB2	Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase	LigPlot