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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50188083
Substrate
n/a
Meas. Tech.
ChEMBL_379666 (CHEMBL866099)
IC50
340000±n/a nM
Citation
 Popov, VM; Chan, DC; Fillingham, YA; Atom Yee, W; Wright, DL; Anderson, AC Analysis of complexes of inhibitors with Cryptosporidium hominis DHFR leads to a new trimethoprim derivative. Bioorg Med Chem Lett 16:4366-70 (2006) [PubMed]  Article 
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:
BDBM50188083
Synonyms:
5-(1-(3,4,5-trimethoxyphenyl)ethyl)pyrimidine-2,4-diamine | 5-[1-(3,4,5-Trimethoxy-phenyl)-ethyl]-pyrimidine-2,4-diamine | CHEMBL141781
Type:
Small organic molecule
Emp. Form.:
C15H20N4O3
Mol. Mass.:
304.3443
SMILES:
COc1cc(cc(OC)c1OC)C(C)c1cnc(N)nc1N
Structure:
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