Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Adagrasib
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 PubChem ID
CID: 138611145
Canonical SMILES
CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C(F)=C)c1cccc2cccc(Cl)c12
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Compound Formula C32H35ClFN7O2
Compound Structure
Protein Name
 Protein Info 
GTPase KRas
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
P01116
Gene Name
KRAS
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000207 MIA PaCa-2
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 5 nM
   TI
   LI
   LO
   TS
2
IC50 = 10 nM
   TI
   LI
   LO
   TS
CL000268 NCI-H358
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 14 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 10 nM
2 Ki = 3700 nM