| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM585344 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | TBD |
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| IC50 | 3.72±n/a nM |
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| Citation |  Thomas, SB; Hopper, AT; Welsch, M Compositions and methods for treating infections US Patent US11530198 Publication Date 12/20/2022 |
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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: | DHFR-TS | DRTS_LEIMA | Thymidylate synthase (TS) |
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| Type: | Protein |
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| Mol. Mass.: | 58691.04 |
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| Organism: | Leishmania major |
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| Description: | P07382 |
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| Residue: | 520 |
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| Sequence: | MSRAAARFKIPMPETKADFAFPSLRAFSIVVALDMQHGIGDGESIPWRVPEDMTFFKNQT
TLLRNKKPPTEKKRNAVVMGRKTWESVPVKFRPLKGRLNIVLSSKATVEELLAPLPEGQR
AAAAQDVVVVNGGLAEALRLLARPLYCSSIETAYCVGGAQVYADAMLSPCIEKLQEVYLT
RIYATAPACTRFFPFPPENAATAWDLASSQGRRKSEAEGLEFEICKYVPRNHEERQYLEL
IDRIMKTGIVKEDRTGVGTISLFGAQMRFSLRDNRLPLLTTKRVFWRGVCEELLWFLRGE
TSAQLLADKDIHIWDGNGSREFLDSRGLTENKEMDLGPVYGFQWRHFGADYKGFEANYDG
EGVDQIKLIVETIKTNPNDRRLLVTAWNPCALQKMALPPCHLLAQFYVNTDTSELSCMLY
QRSCDMGLGVPFNIASYALLTILIAKATGLRPGELVHTLGDAHVYRNHVDALKAQLERVP
HAFPTLIFKEERQYLEDYELTDMEVIDYVPHPAIKMEMAV
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| BDBM585344 |
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| n/a |
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| Name | BDBM585344 |
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| Synonyms: | 5-(4-(quinolin-3-yl)piperazin- 1-yl)pyrimidine-2,4-diamine | US11530198, Example 19 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H19N7 |
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| Mol. Mass. | 321.3797 |
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| SMILES | Nc1ncc(N2CCN(CC2)c2cnc3ccccc3c2)c(N)n1 |
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| Structure | 
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