| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50165446 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_304698 (CHEMBL827998) |
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| IC50 | 2800±n/a nM |
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| Citation |  Gangjee, A; Jain, HD; Kisliuk, RL Novel 2-amino-4-oxo-5-arylthio-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase. Bioorg Med Chem Lett15:2225-30 (2005) [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 |
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| Synonyms: | TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 35718.07 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 313 |
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| Sequence: | MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFG
MQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDS
LGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMC
AWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHI
TGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEG
YNPHPTIKMEMAV
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| BDBM50165446 |
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| n/a |
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| Name | BDBM50165446 |
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| Synonyms: | 2-Amino-5-(3-fluoro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one | CHEMBL381413 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H11FN4OS |
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| Mol. Mass. | 290.316 |
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| SMILES | Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(F)c1 |
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| Structure | 
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