| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50081910 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_54732 (CHEMBL668772) |
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| Ki | 562±n/a nM |
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| Citation |  Hansch, C; Li, R; Blaney, JM; Langridge, R Comparison of the inhibition of Escherichia coli and Lactobacillus casei dihydrofolate reductase by 2,4-diamino-5-(substituted-benzyl)pyrimidines: quantitative structure-activity relationships, X-ray crystallography, and computer graphics in structure-activity analysis. J Med Chem25:777-84 (1982) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Dihydrofolate reductase |
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| Name: | Dihydrofolate reductase |
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| Synonyms: | Dihydrofolate reductase (F31V) | dfrA17 |
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| Type: | n/a |
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| Mol. Mass.: | 17532.46 |
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| Organism: | Escherichia coli |
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| Description: | n/a |
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| Residue: | 157 |
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| Sequence: | MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYA
VVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHV
EVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
|
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|
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| BDBM50081910 |
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| n/a |
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| Name | BDBM50081910 |
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| Synonyms: | 5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL31235 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H28N4O |
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| Mol. Mass. | 328.4518 |
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| SMILES | CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 |
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| Structure | 
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