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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50082924
Substrate
n/a
Meas. Tech.
ChEMBL_379666 (CHEMBL866099)
IC50
119000±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:
BDBM50082924
Synonyms:
6-(10,11-Dihydro-dibenzo[b,f]azepin-5-ylmethyl)-pteridine-2,4-diamine | CHEMBL342086
Type:
Small organic molecule
Emp. Form.:
C21H19N7
Mol. Mass.:
369.4225
SMILES:
Nc1nc(N)c2nc(CN3c4ccccc4CCc4ccccc34)cnc2n1
Structure:
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