Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50405969
Substrate
n/a
Meas. Tech.
ChEBML_53614
Ki
19498±n/a nM
Citation
 Selassie, CD; Fang, ZX; Li, RL; Hansch, C; Debnath, G; Klein, TE; Langridge, R; Kaufman, BT On the structure selectivity problem in drug design. A comparative study of benzylpyrimidine inhibition of vertebrate and bacterial dihydrofolate reductase via molecular graphics and quantitative structure-activity relationships. J Med Chem 32:1895-905 (1989) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
1.5.1.3 | DHFR | DYR_CHICK
Type:
n/a
Mol. Mass.:
21652.69
Organism:
Gallus gallus (Chicken)
Description:
n/a
Residue:
189
Sequence:
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFEVYQKSVLAQ
  
Inhibitor
Name:
BDBM50405969
Synonyms:
CHEMBL57160
Type:
Small organic molecule
Emp. Form.:
C20H30N4O2
Mol. Mass.:
358.4778
SMILES:
CCCCCCCCOc1cc(Cc2cnc(N)nc2N)ccc1OC
Structure:
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