Brief Information of the Compound and Protein
Compound Name
; hydrate2-{4-[(2-Methyl-4-methylsulfanyl-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid ; hydrate
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PubChem ID
CID: 14991331
Canonical SMILES
CSc1cc(C)nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc12
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Compound Formula C27H27N3O5S
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 = 8900 nM
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