| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase ThyA |
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| Ligand | BDBM50351770 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_764952 (CHEMBL1827109) |
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| IC50 | >50000±n/a nM |
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| Citation |  Kögler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Synthesis and evaluation of 5-substituted 2'-deoxyuridine monophosphate analogues as inhibitors of flavin-dependent thymidylate synthase in Mycobacterium tuberculosis. J Med Chem54:4847-62 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Thymidylate synthase ThyA |
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| Name: | Thymidylate synthase ThyA |
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| Synonyms: | TS | TSase | TYSY_MYCTU | Thymidylate synthase | thyA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 29848.00 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_764952 |
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| Residue: | 263 |
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| Sequence: | MTPYEDLLRFVLETGTPKSDRTGTGTRSLFGQQMRYDLSAGFPLLTTKKVHFKSVAYELL
WFLRGDSNIGWLHEHGVTIWDEWASDTGELGPIYGVQWRSWPAPSGEHIDQISAALDLLR
TDPDSRRIIVSAWNVGEIERMALPPCHAFFQFYVADGRLSCQLYQRSADLFLGVPFNIAS
YALLTHMMAAQAGLSVGEFIWTGGDCHIYDNHVEQVRLQLSREPRPYPKLLLADRDSIFE
YTYEDIVVKNYDPHPAIKAPVAV
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| BDBM50351770 |
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| n/a |
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| Name | BDBM50351770 |
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| Synonyms: | CHEMBL1823499 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H28N3O10P |
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| Mol. Mass. | 501.4253 |
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| SMILES | CCCCNC(=O)CCCCC#Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r| |
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| Structure | 
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