Brief Information of the Compound and Protein
Compound Name
4-[(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazine-1-carbonyl]benzonitrile
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PubChem ID
CID: 6102761
SID: 14955076
Canonical SMILES
C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F
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Compound Formula C18H20F3N3O3
Compound Structure
Protein Name
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Protein Classification
Enzyme
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Kinase
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Protein Kinase
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Atypical protein kinase group
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Atypical protein kinase PDHK subfamily
Uniprot ID
Q15118
Gene Name
PDK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 66 nM
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