| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50050426 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2234684 (CHEMBL5148456) |
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| IC50 | 1510±n/a nM |
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| Citation |  Pöhner, I; Quotadamo, A; Panecka-Hofman, J; Luciani, R; Santucci, M; Linciano, P; Landi, G; Di Pisa, F; Dello Iacono, L; Pozzi, C; Mangani, S; Gul, S; Witt, G; Ellinger, B; Kuzikov, M; Santarem, N; Cordeiro-da-Silva, A; Costi, MP; Venturelli, A; Wade, RC Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1. J Med Chem65:9011-9033 (2022) [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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| BDBM50050426 |
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| n/a |
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| Name | BDBM50050426 |
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| Synonyms: | 6-(Naphthalen-1-ylaminomethyl)-pteridine-2,4-diamine | CHEMBL26006 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H15N7 |
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| Mol. Mass. | 317.3479 |
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| SMILES | Nc1nc(N)c2nc(CNc3cccc4ccccc34)cnc2n1 |
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| Structure | 
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