Brief Information of the Compound and Protein
Compound Name
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-pentanedioic acid
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PubChem ID
CID: 44373979
Canonical SMILES
Nc1nc(N)c2nc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
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Compound Formula C21H20N8O5
Compound Structure
Protein Name
Thymidylate synthase
Protein Classification
Enzyme
>
Transferase
Uniprot ID
P04818
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
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 20000 nM
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