Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
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 PubChem ID
CID: 135438608
Canonical SMILES
Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
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Compound Formula C24H23N5O6
Compound Structure
Protein Name
 Protein Info 
Thymidylate synthase
Protein Classification
Enzyme
>
Transferase
Uniprot ID
P07607
Gene Name
TYMS
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM
2 Ki = 3.4 nM
3 Ki = 1000 nM