Brief Information of the Compound and Protein
Compound Name
2-[[2-[4-[[[3,4-dioxo-2-[2-(prop-2-enoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylbenzamide
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Canonical SMILES
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNc3c(NCCNC(=O)C=C)c(=O)c3=O)cc2)ncc1C(F)(F)F
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Compound Formula C29H27F3N8O4
Compound Structure
Protein Name
Focal adhesion kinase 1
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase Fak family
Uniprot ID
Q05397
Gene Name
PTK2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 6.8 nM
   TI
   LI
   LO
   TS
2
Ki = 2.64 nM
   TI
   LI
   LO
   TS