Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(R)-4-((3S,10R)-3-Hydroxy-10-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid bicyclo[3.2.1]oct-3-en-6-yl ester
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 PubChem ID
CID: 44315540
Canonical SMILES
CC(CCC(=O)OC1CC2CC1C=CC2)[C@H]1CCC2C1CCC1C2CC=C2C[C@@H](O)CC[C@]12C
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Compound Formula C31H46O3
Compound Structure
Protein Name
 Protein Info 
Steroid 17-alpha-hydroxylase/17,20 lyase
Protein Classification
Enzyme
>
Cytochrome P450
>
Cytochrome P450 family 17
>
Cytochrome P450 family 17A
>
Cytochrome P450 17A1
Uniprot ID
P05093
Gene Name
CYP17A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 616.5 nM
   TI
   LI
   LO
   TS