Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50005332 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_209652 |
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Ki | 24±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 |
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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BDBM50005332 |
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n/a |
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Name | BDBM50005332 |
Synonyms: | 5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinolin-2-ylamine | CHEMBL171314 |
Type | Small organic molecule |
Emp. Form. | C24H24N4O3S |
Mol. Mass. | 448.537 |
SMILES | COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4nc(N)[nH]c4cc23)cc1 |
Structure |
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