Brief Information of the Compound and Protein
Compound Name
2-{4-[(2,4-Dichloro-quinolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-pentanedioic acid ; hydrate
    Show/Hide
PubChem ID
CID: 14991357
Canonical SMILES
OC(=O)CC[C@H](NC(=O)c1ccc(cc1F)N(CC#C)Cc1ccc2nc(Cl)cc(Cl)c2c1)C(O)=O
    Show/Hide
Compound Formula C25H20Cl2FN3O5
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 = 23 nM
   TI
   LI
   LO
   TS