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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18497
Substrate
n/a
Meas. Tech.
Spectrophotometric Enzyme Assay
IC50
169±n/a nM
Citation
 Anderson, AC; Wright, DL; Frey, KM; Paulsen, JL; Scocchera, EW; Viswanathan, K Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase US Patent  US8853228 Publication Date 10/7/2014
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
ChDHFR-TS | Dihydrofolate Reductase (DHFR)
Type:
Enzyme
Mol. Mass.:
60186.98
Organism:
Cryptosporidium hominis
Description:
ChDHFR-TS was expressed in E. coli and purified using a methotrexate agarose column.
Residue:
521
Sequence:
MSEKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTFCTKNISYDFMIFEKQEKKTLQNCDPARGQLKSIDDTVDLLGEIFGIRKMGNRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAYRENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHREENDLGPIYGFQWRHYNGEYKTMHDDYTGVGVDQLAKLIETLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTNDNCLSCNLYQRSCDLGLGSPFNIASYAILTMMLAQVCGYEPGELAIFIGDAHIYENHLTQLKEQLSRTPRPFPQLKFKRKVENIEDFKWEDIELIGYYPYPTIKMDMAV
  
Inhibitor
Name:
BDBM18497
Synonyms:
6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | JMC516839 Compound 1 | TMP derivative with propargyl-based linker, 37 (R)
Type:
Small organic molecule
Emp. Form.:
C18H22N4O3
Mol. Mass.:
342.3923
SMILES:
COc1cc(cc(OC)c1OC)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
Structure:
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