Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine
    Show/Hide
 PubChem ID
CID: 59472121
SID: 163542914
Canonical SMILES
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
    Show/Hide
Compound Formula C24H25N5O3S
Compound Structure
Protein Name
 Protein Info 
Serine/threonine-protein kinase ATR
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
Atypical protein kinase group
>
Atypical protein kinase PIKK family
Uniprot ID
Q13535
Gene Name
ATR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 19 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.165 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM
2 IC50 = 19 nM