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TargetThymidylate Synthase (TS)
LigandBDBM50161779
Substrate/CompetitorBDBM50028108
Meas. Tech.Inhibition Assay
IC50 3.4e+3± 0 nM
Citation Fritz TATondi DFiner-Moore JSCosti MPStroud RM Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase. Chem Biol 8:981-95 (2001) [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
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  Blast E-value cutoff:
BDBM50161779
BDBM50028108
NameBDBM50161779
Synonyms:(S)-2-(5-Dimethylamino-naphthalene-1-sulfonylamino)-3-[4-(5-dimethylamino-naphthalene-1-sulfonyloxy)-phenyl]-propionic acid | CHEMBL176072 | Dansyl derivative, DDT, 1L | Dansyl derivatives 18A, (R) isomer | Dansyltyrosine deriviative 21B | N,O-DIDANSYL-L-TYROSINE | N,O-diansyl-L-tyrosine
TypeSmall organic molecule
Emp. Form.C33H33N3O7S2
Mol. Mass.647.761
SMILESCN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O
Structure
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