Brief Information of the Compound and Protein
Compound Name
(3S,10R,13S)-10,13-Dimethyl-17-[1,2,3]triazol-2-yl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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PubChem ID
CID: 44315442
Canonical SMILES
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC=C2n1nccn1
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Compound Formula C21H29N3O
Compound Structure
Protein Name
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 Homo sapiens (Human)  1
1
IC50 = 3700 nM
   TI
   LI
   LO
   TS