Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50018469
Substrate
n/a
Meas. Tech.
ChEMBL_53148 (CHEMBL665868)
Ki
0.800000±n/a nM
Citation
 Roth, B; Tidwell, MY; Ferone, R; Baccanari, DP; Sigel, CW; DeAngelis, D; Elwell, LP 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 13. Some alkenyl derivatives with high in vitro activity against anaerobic organisms. J Med Chem 32:1949-58 (1989) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50018469
Synonyms:
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine | CHEMBL301030
Type:
Small organic molecule
Emp. Form.:
C18H22N4O
Mol. Mass.:
310.3935
SMILES:
COc1c(\C=C\C)cc(Cc2cnc(N)nc2N)cc1\C=C\C
Structure:
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