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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM25821
Substrate
n/a
Meas. Tech.
Spectrophotometric Enzyme Assay
IC50
10±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:
BDBM25821
Synonyms:
5-(3-{3-[2,6-bis(propan-2-yl)phenyl]-5-methoxyphenyl}but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine | propargyl-based inhibitor, 10d (+/-)
Type:
Small organic molecule
Emp. Form.:
C28H34N4O
Mol. Mass.:
442.5958
SMILES:
COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
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