| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50005323 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_208949 |
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| Ki | 140±n/a nM |
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| Citation |  Appelt, K; Bacquet, RJ; Bartlett, CA; Booth, CL; Freer, ST; Fuhry, MA; Gehring, MR; Herrmann, SM; Howland, EF; Janson, CA Design of enzyme inhibitors using iterative protein crystallographic analysis. J Med Chem34:1925-34 (1991) [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 | Thymidylate Synthase (TS) | Thymidylate synthase | thyA |
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| Type: | n/a |
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| Mol. Mass.: | 30487.86 |
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| Organism: | Escherichia coli |
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| Description: | n/a |
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| Residue: | 264 |
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| Sequence: | MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
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|
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| BDBM50005323 |
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| n/a |
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| Name | BDBM50005323 |
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| Synonyms: | 5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinolin-2-ylamine | 5-[4-(Piperazine-1-sulfonyl)-benzyl]-5,6,7,8-tetrahydro-3H-imidazo[4,5-g]quinolin-2-ylamine | CHEMBL56662 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H26N6O2S |
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| Mol. Mass. | 426.535 |
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| SMILES | Nc1nc2cc3CCCN(Cc4ccc(cc4)S(=O)(=O)N4CCNCC4)c3cc2[nH]1 |
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| Structure | 
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