Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50406007
Substrate
n/a
Meas. Tech.
ChEMBL_54558 (CHEMBL664873)
Ki
0.1±n/a nM
Citation
 Johnson, JV; Rauchman, BS; Baccanari, DP; Roth, B 2,4-Diamino-5-benzylpyrimidines and analogues as antibacterial agents. 12. 1,2-Dihydroquinolylmethyl analogues with high activity and specificity for bacterial dihydrofolate reductase. J Med Chem 32:1942-9 (1989) [PubMed]
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate reductase (F31V) | dfrA17
Type:
n/a
Mol. Mass.:
17532.46
Organism:
Escherichia coli
Description:
n/a
Residue:
157
Sequence:
MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYAVVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHVEVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
  
Inhibitor
Name:
BDBM50406007
Synonyms:
CHEMBL418293
Type:
Small organic molecule
Emp. Form.:
C18H21F2N5O
Mol. Mass.:
361.389
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12 |t:18|
Structure:
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