Ligand name: S-[2-(propanoylamino)ethyl] (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]propanethioate (non-preferred name)
PDB ligand accession: 30Q
DrugBank: n/a
PubChem: 76871923
ChEMBL: n/a
InChI Key: NPTBAEOEUMZYQL-CTKPXJAYSA-N
SMILES: CCC(=O)NCCSC(=O)C(C)C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Bile acids, alcohols and derivatives

List of proteins that are targets for 30Q

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	F1CMY8_30Q	F1CMY8	3-ketosteroid-9-alpha-monooxygenase, oxygenase component	n/a
2	F1CMX0_30Q	F1CMX0	3-ketosteroid-9-alpha-monooxygenase, oxygenase component	n/a