Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50005329 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_208947 |
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Ki | 11±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 | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
Type: | n/a |
Mol. Mass.: | 30487.86 |
Organism: | Escherichia coli |
Description: | n/a |
Residue: | 264 |
Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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BDBM50005329 |
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n/a |
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Name | BDBM50005329 |
Synonyms: | 5-[4-(Morpholine-4-sulfonyl)-benzyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinolin-2-ylamine | CHEMBL168524 |
Type | Small organic molecule |
Emp. Form. | C21H25N5O3S |
Mol. Mass. | 427.52 |
SMILES | Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCOCC4)c3cc2[nH]1 |
Structure |
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