Reaction Details Report a problem with these data
Target
Dihydrofolate reductase type 1
Ligand
BDBM50291798
Substrate
n/a
Meas. Tech.
ChEMBL_54572 (CHEMBL664886)
Ki
19055±n/a nM
Citation
 Coats, EA; Genther, CS; Selassie, CD; Strong, CD; Hansch, C Quantitative structure-activity relationship of antifolate inhibition of bacteria cell cultures resistant and sensitive to methotrexate. J Med Chem 28:1910-6 (1985) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase type 1
Synonyms:
DYR1_ECOLX | dhfrI
Type:
PROTEIN
Mol. Mass.:
17574.87
Organism:
Escherichia coli
Description:
ChEMBL_54248
Residue:
157
Sequence:
MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFESMGALPNRKYAVVTRSSFTSDNENVLIFPSIKDALTNLKKITDHVIVSGGGEIYKSLIDQVDTLHISTIDIEPEGDVYFPEIPSNFRPVFTQDFASNINYSYQIWQKG
  
Inhibitor
Name:
BDBM50291798
Synonyms:
1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL267692
Type:
Small organic molecule
Emp. Form.:
C15H23N5
Mol. Mass.:
273.3766
SMILES:
CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16|
Structure:
Search PDB for entries with ligand similarity: