| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM25820 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Spectrophotometric Enzyme Assay |
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| IC50 | 2.1±n/a nM |
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| 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 |
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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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| BDBM25820 |
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| n/a |
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| Name | BDBM25820 |
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| Synonyms: | 5-{3-[3-(2,6-dimethylphenyl)-5-methoxyphenyl]but-1-yn-1-yl}-6-methylpyrimidine-2,4-diamine | Biphenyl antifolate, 6 | propargyl-based inhibitor, 10c (+/-) |
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| Type | Small organic molecule |
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| Emp. Form. | C24H26N4O |
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| Mol. Mass. | 386.4894 |
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| SMILES | COc1cc(cc(c1)-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N |
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| Structure | 
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