Reaction Details |
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Target | Thymidylate synthase |
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Ligand | BDBM50035015 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_208948 (CHEMBL814567) |
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Ki | 6000±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 |
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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BDBM50035015 |
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n/a |
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Name | BDBM50035015 |
Synonyms: | CHEMBL55884 | N*6*-Methyl-N*6*-pyridin-4-ylmethyl-benzo[cd]indole-2,6-diamine |
Type | Small organic molecule |
Emp. Form. | C18H16N4 |
Mol. Mass. | 288.3464 |
SMILES | CN(Cc1ccncc1)c1ccc2N=C(N)c3cccc1c23 |t:14| |
Structure |
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