Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM77567
Substrate/Competitorn/a
Meas. Tech.ChEMBL_55072
Ki 427±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:
BDBM77567
NameBDBM77567
Synonyms:5-(4-Butoxy-benzyl)-pyrimidine-2,4-diamine | 5-[(4-butoxyphenyl)methyl]pyrimidine-2,4-diamine | MLS001049199 | SMR000427733 | [2-amino-5-(4-butoxybenzyl)pyrimidin-4-yl]amine | cid_623352
TypeSmall organic molecule
Emp. Form.C15H20N4O
Mol. Mass.272.3455
SMILESCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a