Ligand name: Abiraterone
PDB ligand accession: AER
DrugBank: DB05812
PubChem: 132971
ChEMBL: CHEMBL254328
InChI Key: GZOSMCIZMLWJML-VJLLXTKPSA-N
SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC=C4c5cccnc5)C)O

ClassyFire chemical classification:

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

List of proteins that are targets for DB05812

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	A7U483_AER	A7U483	Cytochrome P450 17A2	n/a
2	P05093_AER	P05093	Steroid 17-alpha-hydroxylase/17,20 lyase	inhibitor	IC50(nM) = 2.0
3	B3DH80_AER	B3DH80	Cyp17a1 protein	n/a
4	A2ATX9_AER	A2ATX9	Cytochrome P450, family	n/a