| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50562446 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2078714 (CHEMBL4734505) |
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| IC50 | 130±n/a nM |
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| Citation |  Bibi, M; Qureshi, NA; Sadiq, A; Farooq, U; Hassan, A; Shaheen, N; Asghar, I; Umer, D; Ullah, A; Khan, FA; Salman, M; Bibi, A; Rashid, U Exploring the ability of dihydropyrimidine-5-carboxamide and 5-benzyl-2,4-diaminopyrimidine-based analogues for the selective inhibition of L. major dihydrofolate reductase. Eur J Med Chem210:0 (2021) [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: | 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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| BDBM50562446 |
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| n/a |
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| Name | BDBM50562446 |
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| Synonyms: | CHEMBL4752301 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H29N5O6 |
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| Mol. Mass. | 447.4849 |
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| SMILES | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CNC(CC(C)C)C(O)=O |
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| Structure | 
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