Brief Information of the Compound and Protein
Compound Name
N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-2,4-dihydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
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PubChem ID
CID: 117972658
Canonical SMILES
Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(O)cc1O
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Compound Formula C30H29ClN4O3
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 = 2150 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 IC50 = 101 nM
3 Kd = 78 nM
4 Ki = 37 nM