Reaction Details Report a problem with these data
Target
Dihydrofolate reductase type 1
Ligand
BDBM50090054
Substrate
n/a
Meas. Tech.
ChEMBL_54572 (CHEMBL664886)
Ki
1349±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
More Info.:
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:
BDBM50090054
Synonyms:
1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(3-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL7130
Type:
Small organic molecule
Emp. Form.:
C11H14ClN5
Mol. Mass.:
251.715
SMILES:
CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6|