Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50018471
Substrate
n/a
Meas. Tech.
ChEMBL_53150 (CHEMBL665870)
Ki
2.1±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:
DYR_STAAU | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase (DfrB) | Tetrahydrofolate dehydrogenase | folA
Type:
Enzyme
Mol. Mass.:
18249.71
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
159
Sequence:
MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
  
Inhibitor
Name:
BDBM50018471
Synonyms:
5-(3,5-Diallyl-4-methoxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL301236
Type:
Small organic molecule
Emp. Form.:
C18H22N4O
Mol. Mass.:
310.3935
SMILES:
COc1c(CC=C)cc(Cc2cnc(N)nc2N)cc1CC=C
Structure:
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