Ligand name: 4-ANDROSTENE-3-17-DIONE
PDB ligand accession: ASD
DrugBank: DB01536
PubChem: 6128
ChEMBL: CHEMBL274826
InChI Key: AEMFNILZOJDQLW-QAGGRKNESA-N
SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q16772

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VCV	Download	Experimental	e2vcvA1 e2vcvA2 e2vcvB1 e2vcvB2 e2vcvD1 e2vcvD2 e2vcvE1 e2vcvE2 e2vcvF1 e2vcvF2 e2vcvG1 e2vcvG2 e2vcvH1 e2vcvH2 e2vcvI1 e2vcvI2 e2vcvK1 e2vcvK2 e2vcvL1 e2vcvL2 e2vcvP1 e2vcvP2	Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like	LigPlot