Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50291807
Substrate/Competitorn/a
Meas. Tech.ChEMBL_53616
Ki 28±n/a nM
Citation Hansch CHathaway BAGuo ZRSelassie CDDietrich SWBlaney JMLangridge RVolz KWKaufman BT Crystallography, quantitative structure-activity relationships, and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazine s. J Med Chem 27:129-43 (1984) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:1.5.1.3 | DHFR
Type:n/a
Mol. Mass.:21652.69
Organism:Gallus gallus (Chicken)
Description:n/a
Residue:189
Sequence:
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSI
PEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAV
YKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFE
VYQKSVLAQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50291807
n/a
NameBDBM50291807
Synonyms:1-[3-(4-Chloro-benzylsulfanyl)-phenyl]-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL21077
TypeSmall organic molecule
Emp. Form.C18H20ClN5S
Mol. Mass.373.903
SMILESCC1(C)N=C(N)N=C(N)N1c1cccc(SCc2ccc(Cl)cc2)c1 |t:3,6|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: