Brief Information of the Compound and Protein
Compound Name
(S)-4-((S)-1-Carboxy-2-phenyl-ethylcarbamoyl)-2-{4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-butyric acid
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PubChem ID
CID: 135405132
SID: 14988927
Canonical SMILES
Cc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(O)=O)cc2c(=O)[nH]1
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Compound Formula C34H33N5O7
Compound Structure
Protein Name
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 Mus musculus (Mouse)  1
1
IC50 = 18 nM
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