Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]-prop-2-ynylamino]pentanedioic acid
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 PubChem ID
CID: 136109156
Canonical SMILES
Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCC(O)=O)C(=O)N(CC#C)[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1
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Compound Formula C34H34FN5O9
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
Ki = 0.21 nM
   TI
   LI
   LO
   TS