| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate reductase |
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| Ligand | BDBM50470946 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_54725 (CHEMBL668338) |
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| IC50 | 4467±n/a nM |
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| Citation |  Dunn, WJ; Hopfinger, AJ; Catana, C; Duraiswami, C Solution of the conformation and alignment tensors for the binding of trimethoprim and its analogs to dihydrofolate reductase: 3D-quantitative structure-activity relationship study using molecular shape analysis, 3-way partial least-squares regression, and 3-way factor analysis. J Med Chem39:4825-32 (1996) [PubMed] Article |
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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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| BDBM50470946 |
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| n/a |
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| Name | BDBM50470946 |
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| Synonyms: | Alpha-Hydroxytrimethoprim |
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| Type | Small organic molecule |
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| Emp. Form. | C14H18N4O4 |
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| Mol. Mass. | 306.3171 |
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| SMILES | COc1cc(cc(OC)c1OC)C(O)c1cnc(N)nc1N |
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| Structure | 
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