Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-4-[3-Carboxy-1-(1H-tetrazol-5-yl)-propylcarbamoyl]-2-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahydro-3H-cyclopenta[g]quinazolin-6-yl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid
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 PubChem ID
CID: 136035336
Canonical SMILES
C#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)NC(CCC(=O)O)c2nnn[nH]2)C(=O)O)cc1)C1CCc2cc3nc(C)nc(O)c3cc21
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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 = 0.2 nM
   TI
   LI
   LO
   TS