Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50405087
Substrate
n/a
Meas. Tech.
ChEMBL_54925 (CHEMBL857514)
Ki
4.2±n/a nM
Citation
 Coats, EA; Genther, CS; Dietrich, SW; Guo, ZR; Hansch, 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 Chem 24:1422-9 (1981) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_LACCA | dhfR | folA
Type:
PROTEIN
Mol. Mass.:
18437.08
Organism:
Lactobacillus casei
Description:
ChEMBL_1357878
Residue:
163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
  
Inhibitor
Name:
BDBM50405087
Synonyms:
CHEMBL7435
Type:
Small organic molecule
Emp. Form.:
C15H23N5O
Mol. Mass.:
289.376
SMILES:
CCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:14,17|
Structure:
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