Brief Information of the Compound and Protein
Compound Name
N-[2-[[5-chloro-2-[[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
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PubChem ID
CID: 154640734
Canonical SMILES
CN1CCN(Cc2nc3ccc(Nc4ncc(Cl)c(Nc5ccccc5NS(C)(=O)=O)n4)cc3[nH]2)CC1
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Compound Formula C24H28ClN9O2S
Compound Structure
Protein Name
ALK tyrosine kinase receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TKL protein kinase group
>
TKL protein kinase STKR family
>
TKL protein kinase STKR Type 1 subfamily
Uniprot ID
Q9UM73
Gene Name
ALK
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 3.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 4.9 nM
   TI
   LI
   LO
   TS
3
IC50 = 7 nM
   TI
   LI
   LO
   TS