Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50291785
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54925 (CHEMBL857514)
Ki 5.3±n/a nM
Citation Coats, EAGenther, CSDietrich, SWGuo, ZRHansch, C Comparison of the inhibition of methotrexate-sensitive and -resistant Lactobacillus casei cell cultures with purified Lactobacillus casei dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(3-substituted-phenyl)-s-triazines. Use of quantitative structure-activity relationships in maki J Med Chem24:1422-9 (1981) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50291785
n/a
NameBDBM50291785
Synonyms:6,6-Dimethyl-1-(3-m-tolyloxymethyl-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL20480
TypeSmall organic molecule
Emp. Form.C19H23N5O
Mol. Mass.337.4188
SMILESCc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: