Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50054517 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_209482 (CHEMBL809909) |
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IC50 | 190000±n/a nM |
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Citation | Abraham, TW; Kalman, TI; McIntee, EJ; Wagner, CR Synthesis and biological activity of aromatic amino acid phosphoramidates of 5-fluoro-2'-deoxyuridine and 1-beta-arabinofuranosylcytosine: evidence of phosphoramidase activity. J Med Chem39:4569-75 (1996) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Thymidylate synthase |
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Name: | Thymidylate synthase |
Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
Type: | Enzyme |
Mol. Mass.: | 35718.07 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 313 |
Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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BDBM50054517 |
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n/a |
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Name | BDBM50054517 |
Synonyms: | (S)-2-{[5-(5-Fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-phenyl-propionic acid methyl ester | CHEMBL96148 |
Type | Small organic molecule |
Emp. Form. | C19H23FN3O9P |
Mol. Mass. | 487.3728 |
SMILES | COC(=O)[C@H](Cc1ccccc1)NP(O)(=O)OCC1OC(CC1O)n1cc(F)c(=O)[nH]c1=O |
Structure |
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