Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM25826 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Spectrophotometric Enzyme Assay |
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IC50 | 1.1±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 |
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: | MSEKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWD
SIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYR
DALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTFCTKNISYDFMIFEKQEK
KTLQNCDPARGQLKSIDDTVDLLGEIFGIRKMGNRHKFPKEEIYNTPSIRFGREHYEFQY
LDLLSRVLENGAYRENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIK
GDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHREENDLGPIYGFQWRHYNGEYKTMHDDY
TGVGVDQLAKLIETLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTNDNCLSCNL
YQRSCDLGLGSPFNIASYAILTMMLAQVCGYEPGELAIFIGDAHIYENHLTQLKEQLSRT
PRPFPQLKFKRKVENIEDFKWEDIELIGYYPYPTIKMDMAV
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BDBM25826 |
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n/a |
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Name | BDBM25826 |
Synonyms: | 5-[(3R)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | propargyl-based inhibitor, R-10a |
Type | Small organic molecule |
Emp. Form. | C22H22N4O |
Mol. Mass. | 358.4363 |
SMILES | COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r| |
Structure |
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