| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50023901 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_209474 (CHEMBL809254) |
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| IC50 | 2500±n/a nM |
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| Citation |  Brixner, DI; Ueda, T; Cheng, YC; Hynes, JB; Broom, AD Folate analogues as inhibitors of thymidylate synthase. J Med Chem30:675-8 (1987) [PubMed] |
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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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| BDBM50023901 |
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| n/a |
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| Name | BDBM50023901 |
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| Synonyms: | 2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid(8-deaza-10-methylfolate) | CHEMBL158790 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H22N6O6 |
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| Mol. Mass. | 454.436 |
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| SMILES | CN(Cc1ccc2nc(N)[nH]c(=O)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
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| Structure | 
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