Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50223502
Substrate
n/a
Meas. Tech.
ChEMBL_54925 (CHEMBL857514)
Ki
3.2±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:
BDBM50223502
Synonyms:
CHEMBL30603
Type:
Small organic molecule
Emp. Form.:
C11H14FN5O2S
Mol. Mass.:
299.325
SMILES:
CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(F)(=O)=O |t:3,6|
Structure:
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