| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50528945 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1906827 (CHEMBL4409185) |
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| IC50 | 11000±n/a nM |
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| Citation |  Czyzyk, DJ; Valhondo, M; Deiana, L; Tirado-Rives, J; Jorgensen, WL; Anderson, KS Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur J Med Chem183:0 (2019) [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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| BDBM50528945 |
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| n/a |
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| Name | BDBM50528945 |
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| Synonyms: | CHEMBL4565065 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H16N6O4 |
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| Mol. Mass. | 428.4002 |
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| SMILES | Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3C(O)=O)C#N)c2c(=O)[nH]1 |
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| Structure | 
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