| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50005330 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_209652 |
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| Ki | 13±n/a nM |
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| Citation |  Reich, SH; Fuhry, MA; Nguyen, D; Pino, MJ; Welsh, KM; Webber, S; Janson, CA; Jordan, SR; Matthews, DA; Smith, WW Design and synthesis of novel 6,7-imidazotetrahydroquinoline inhibitors of thymidylate synthase using iterative protein crystal structure analysis. J Med Chem35:847-58 (1992) [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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| BDBM50005330 |
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| n/a |
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| Name | BDBM50005330 |
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| Synonyms: | 5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinolin-2-ylamine | 5-(4-Benzenesulfonyl-benzyl)-5,6,7,8-tetrahydro-3H-imidazo[4,5-g]quinolin-2-ylamine | CHEMBL301256 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H22N4O2S |
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| Mol. Mass. | 418.511 |
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| SMILES | Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)c4ccccc4)c3cc2[nH]1 |
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| Structure | 
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