Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50165444 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_304698 (CHEMBL827998) |
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IC50 | 210±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 |
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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BDBM50165444 |
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n/a |
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Name | BDBM50165444 |
Synonyms: | 2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one | CHEMBL195355 |
Type | Small organic molecule |
Emp. Form. | C13H10BrN5O3S |
Mol. Mass. | 396.219 |
SMILES | Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O |
Structure |
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