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Reaction Details
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TargetDihydrofolate reductase
LigandBDBM18069
Substrate/Competitorn/a
Meas. Tech.ChEMBL_55072
Ki 132±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]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:18437.08
Organism:Lactobacillus casei
Description:ChEMBL_1357878
Residue:163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTN
VVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLA
GSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18069
NameBDBM18069
Synonyms:5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CHEMBL22 | TMP | Trimethoprim | Trimethoprim (TMP)
TypeSmall organic molecule
Emp. Form.C14H18N4O3
Mol. Mass.290.3177
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Structure
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