Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-4-[1-[2-[[(1R)-1-carboxyethyl]amino]-2-oxoethyl]tetrazol-5-yl]-2-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoic acid
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 PubChem ID
CID: 135501222
SID: 16915898
Canonical SMILES
C[C@@H](NC(=O)Cn1nnnc1CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O)C(O)=O
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Compound Formula C32H33N9O7
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 = 2.2 nM
   TI
   LI
   LO
   TS