Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM50138701 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_54725 (CHEMBL668338) |
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IC50 | 100±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 |
Synonyms: | Dihydrofolate reductase (F31V) | dfrA17 |
Type: | n/a |
Mol. Mass.: | 17532.46 |
Organism: | Escherichia coli |
Description: | n/a |
Residue: | 157 |
Sequence: | MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYA
VVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHV
EVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
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BDBM50138701 |
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n/a |
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Name | BDBM50138701 |
Synonyms: | 6-Methyl-5-(3,4,5-trimethoxy-benzyl)-pyrimidine-2,4-diamine | 6-methyl-5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine | CHEMBL325533 |
Type | Small organic molecule |
Emp. Form. | C15H20N4O3 |
Mol. Mass. | 304.3443 |
SMILES | COc1cc(Cc2c(C)nc(N)nc2N)cc(OC)c1OC |
Structure |
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