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Reaction Details
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TargetDihydrofolate reductase
LigandBDBM50029760
Substrate/Competitorn/a
Meas. Tech.ChEMBL_55072 (CHEMBL858271)
Ki 550±n/a nM
Citation Hansch, CLi, RBlaney, JMLangridge, 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]
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:DYR_LACCA | dhfR | folA
Type:PROTEIN
Mol. Mass.:18437.08
Organism:Lactobacillus casei
Description:ChEMBL_1357878
Residue:163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTN
VVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLA
GSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
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  Blast E-value cutoff:
BDBM50029760
n/a
NameBDBM50029760
Synonyms:5-[3,5-Dimethoxy-4-(2-methoxy-ethoxy)-benzyl]-pyrimidine-2,4-diamine | 5-[3,5-Dimethoxy-4-(2-methoxy-ethoxy)-benzyl]-pyrimidine-2,4-diamine(Tetroxoprim ) | CHEMBL32039 | Tetroxoprim
TypeSmall organic molecule
Emp. Form.C16H22N4O4
Mol. Mass.334.3703
SMILESCOCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Structure
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