Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetThymidylate Synthase (TS)
LigandBDBM50022738
Substrate/Competitorn/a
Meas. Tech.ChEBML_209295
IC50 2900±n/a nM
Citation Piper JRMcCaleb GSMontgomery JAKisliuk RLGaumont YThorndike JSirotnak FM Synthesis and antifolate activity of 5-methyl-5,10-dideaza analogues of aminopterin and folic acid and an alternative synthesis of 5,10-dideazatetrahydrofolic acid, a potent inhibitor of glycinamide ribonucleotide formyltransferase. J Med Chem 31:2164-9 (1988) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Thymidylate Synthase (TS)
Name:Thymidylate synthase
Synonyms:TSase | Thymidylate synthase
Type:Enzyme
Mol. Mass.:36576.54
Organism:Lactobacillus casei
Description:n/a
Residue:316
Sequence:
MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSE
LLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHE
EMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRL
IVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLV
AHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIK
LLNYDPYPAIKAPVAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50022738
n/a
NameBDBM50022738
Synonyms:2-{4-[2-(2,4-Diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | CHEMBL69016
TypeSmall organic molecule
Emp. Form.C22H24N6O5
Mol. Mass.452.4632
SMILESCc1c(CCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)cnc2nc(N)nc(N)c12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: