Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM18069 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_54725 (CHEMBL668338) |
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IC50 | 5.9±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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BDBM18069 |
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n/a |
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Name | BDBM18069 |
Synonyms: | 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CHEMBL22 | TMP | Trimethoprim | Trimethoprim (TMP) | US10870625, Compound TMP |
Type | Small organic molecule |
Emp. Form. | C14H18N4O3 |
Mol. Mass. | 290.3177 |
SMILES | COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC |
Structure |
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