Ligand name: (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol
PDB ligand accession: CA9
DrugBank: n/a
PubChem: 53261165
ChEMBL: n/a
InChI Key: YCBJWNMIMDLOPD-ADFBMCJESA-N
SMILES: CC1C(CC(=CC1O)C#CC2=CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)O

ClassyFire chemical classification:

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

List of proteins that are targets for CA9

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P11473_CA9	P11473	n/a