Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-3,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
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 PubChem ID
CID: 135501213
SID: 16915776
Canonical SMILES
CN([C@H](CCC(O)=O)C(O)=O)C(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC#C)C1CCc2cc3nc(C)[nH]c(=O)c3cc12)C(O)=O
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Compound Formula C33H35N5O9
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 = 0.78 nM
   TI
   LI
   LO
   TS