Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(R)-2-((S)-4-Carboxy-4-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyrylamino)-pentanedioic acid TFA
    Show/Hide
 PubChem ID
CID: 136078525
Canonical SMILES
Cc1nc(O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)cc3)c(C)cc2n1.O=C(O)C(F)(F)F
    Show/Hide
Compound Formula C31H34F3N5O11
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
IC50 = 4.6 nM
   TI
   LI
   LO
   TS