Brief Information of the Compound and Protein
Compound Name
ethyl 2-(4-(4-(((2s,5s)-2-((1H-imidazol-1-yl)methyl)-2-(2-chlorophenyl)-1,3-dioxan-5-yloxy)methyl)phenyl)piperazine-1-carboxamido)acetate
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Canonical SMILES
CCOC(=O)CNC(=O)N1CCN(c2ccc(CO[C@H]3CO[C@](Cn4ccnc4)(c4ccccc4Cl)OC3)cc2)CC1
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Compound Formula C30H36ClN5O6
Compound Structure
Protein Name
Steroid 21-hydroxylase
Protein Classification
Enzyme
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Cytochrome P450
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Cytochrome P450 family 21
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Cytochrome P450 family 21A
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Cytochrome P450 21A2
Uniprot ID
P08686
Gene Name
CYP21A2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000192 AD-293 Homo sapiens (Human)  1
1
IC50 = 2800 nM
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