Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50029763
Substrate
n/a
Meas. Tech.
ChEBML_53614
Ki
46774±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:
BDBM50029763
Synonyms:
5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2,4-diamine | CHEMBL280378 | Epiroprim | TCMDC-137295
Type:
Small organic molecule
Emp. Form.:
C19H23N5O2
Mol. Mass.:
353.4182
SMILES:
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1
Structure:
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