| Reaction Details |
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 | Report a problem with these data |
| Target | Thymidylate synthase |
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| Ligand | BDBM50035006 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_208948 (CHEMBL814567) |
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| Ki | 1800±n/a nM |
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| Citation |  Varney, MD; Palmer, CL; Deal, JG; Webber, S; Welsh, KM; Bartlett, CA; Morse, CA; Smith, WW; Janson, CA Synthesis and biological evaluation of novel 2,6-diaminobenz[cd]indole inhibitors of thymidylate synthase using the protein structure as a guide. J Med Chem38:1892-903 (1995) [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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| BDBM50035006 |
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| n/a |
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| Name | BDBM50035006 |
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| Synonyms: | CHEMBL434980 | N*6*-Methyl-N*6*-(2-methyl-pyridin-4-ylmethyl)-benzo[cd]indole-2,6-diamine |
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| Type | Small organic molecule |
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| Emp. Form. | C19H18N4 |
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| Mol. Mass. | 302.373 |
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| SMILES | CN(Cc1ccnc(C)c1)c1ccc2N=C(N)c3cccc1c23 |t:15| |
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| Structure | 
|
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