Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM50406000 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_54725 (CHEMBL668338) |
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IC50 | 501±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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BDBM50406000 |
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n/a |
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Name | BDBM50406000 |
Synonyms: | CHEMBL19293 |
Type | Small organic molecule |
Emp. Form. | C11H11BrN4 |
Mol. Mass. | 279.136 |
SMILES | Nc1ncc(Cc2ccc(Br)cc2)c(N)n1 |
Structure |
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