| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50082924 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_379666 (CHEMBL866099) |
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| IC50 | 119000±n/a nM |
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| 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 Lett16:4366-70 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Name: | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Synonyms: | ChDHFR-TS | Dihydrofolate Reductase (DHFR) |
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| Type: | Enzyme |
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| Mol. Mass.: | 60186.98 |
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| Organism: | Cryptosporidium hominis |
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| Description: | ChDHFR-TS was expressed in E. coli and purified using a methotrexate agarose column. |
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| Residue: | 521 |
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| Sequence: | MSEKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWD
SIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYR
DALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTFCTKNISYDFMIFEKQEK
KTLQNCDPARGQLKSIDDTVDLLGEIFGIRKMGNRHKFPKEEIYNTPSIRFGREHYEFQY
LDLLSRVLENGAYRENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIK
GDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHREENDLGPIYGFQWRHYNGEYKTMHDDY
TGVGVDQLAKLIETLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTNDNCLSCNL
YQRSCDLGLGSPFNIASYAILTMMLAQVCGYEPGELAIFIGDAHIYENHLTQLKEQLSRT
PRPFPQLKFKRKVENIEDFKWEDIELIGYYPYPTIKMDMAV
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| BDBM50082924 |
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| n/a |
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| Name | BDBM50082924 |
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| Synonyms: | 6-(10,11-Dihydro-dibenzo[b,f]azepin-5-ylmethyl)-pteridine-2,4-diamine | CHEMBL342086 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H19N7 |
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| Mol. Mass. | 369.4225 |
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| SMILES | Nc1nc(N)c2nc(CN3c4ccccc4CCc4ccccc34)cnc2n1 |
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| Structure | 
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