Ligand name: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE
PDB ligand accession: K2B
DrugBank: n/a
PubChem: 91477
ChEMBL: CHEMBL63243
InChI Key: NYOXRYYXRWJDKP-GYKMGIIDSA-N
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

ClassyFire chemical classification:

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

List of proteins that are targets for K2B

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	A0PUV7_K2B	A0PUV7	Cytochrome P450 142A3	n/a
2	A0A2Z5YMP0_K2B	A0A2Z5YMP0	deleted	n/a
3	A0R4Q6_K2B	A0R4Q6	Steroid C26-monooxygenase (EC	n/a
4	P9WPP3_K2B	P9WPP3	Methyl-branched lipid omega-hydroxylase	n/a
5	P22680_K2B	P22680	Cytochrome P450 7A1	n/a
6	P63709_K2B	P63709	Steroid C26-monooxygenase (EC	n/a
7	P9WPL5_K2B	P9WPL5	Steroid C26-monooxygenase (EC	n/a