Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM50071578 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1470026 (CHEMBL3412012) |
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Kd | 1580±n/a nM |
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Citation | Mendoza-Martínez, C; Galindo-Sevilla, N; Correa-Basurto, J; Ugalde-Saldivar, VM; Rodríguez-Delgado, RG; Hernández-Pineda, J; Padierna-Mota, C; Flores-Alamo, M; Hernández-Luis, F Antileishmanial activity of quinazoline derivatives: synthesis, docking screens, molecular dynamic simulations and electrochemical studies. Eur J Med Chem92:314-31 (2015) [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 |
Synonyms: | DHFR-TS | DRTS_LEIMA | Thymidylate synthase (TS) |
Type: | Protein |
Mol. Mass.: | 58691.04 |
Organism: | Leishmania major |
Description: | P07382 |
Residue: | 520 |
Sequence: | MSRAAARFKIPMPETKADFAFPSLRAFSIVVALDMQHGIGDGESIPWRVPEDMTFFKNQT
TLLRNKKPPTEKKRNAVVMGRKTWESVPVKFRPLKGRLNIVLSSKATVEELLAPLPEGQR
AAAAQDVVVVNGGLAEALRLLARPLYCSSIETAYCVGGAQVYADAMLSPCIEKLQEVYLT
RIYATAPACTRFFPFPPENAATAWDLASSQGRRKSEAEGLEFEICKYVPRNHEERQYLEL
IDRIMKTGIVKEDRTGVGTISLFGAQMRFSLRDNRLPLLTTKRVFWRGVCEELLWFLRGE
TSAQLLADKDIHIWDGNGSREFLDSRGLTENKEMDLGPVYGFQWRHFGADYKGFEANYDG
EGVDQIKLIVETIKTNPNDRRLLVTAWNPCALQKMALPPCHLLAQFYVNTDTSELSCMLY
QRSCDMGLGVPFNIASYALLTILIAKATGLRPGELVHTLGDAHVYRNHVDALKAQLERVP
HAFPTLIFKEERQYLEDYELTDMEVIDYVPHPAIKMEMAV
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BDBM50071578 |
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n/a |
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Name | BDBM50071578 |
Synonyms: | CHEMBL546890 |
Type | Small organic molecule |
Emp. Form. | C16H17N5O |
Mol. Mass. | 295.3391 |
SMILES | COc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1 |
Structure |
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