Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50018479
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54422 (CHEMBL880683)
Ki 1.6±n/a nM
Citation Roth, BTidwell, MYFerone, RBaccanari, DPSigel, CWDeAngelis, DElwell, LP 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 13. Some alkenyl derivatives with high in vitro activity against anaerobic organisms. J Med Chem32:1949-58 (1989) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:Dihydrofolate reductase (F31V) | dfrA17
Type:n/a
Mol. Mass.:17532.46
Organism:Escherichia coli
Description:n/a
Residue:157
Sequence:
MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYA
VVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHV
EVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50018479
n/a
NameBDBM50018479
Synonyms:5-(3-Allyl-4-methoxy-5-propyl-benzyl)-pyrimidine-2,4-diamine | CHEMBL58550 | TCMDC-138039
TypeSmall organic molecule
Emp. Form.C18H24N4O
Mol. Mass.312.4094
SMILESCCCc1cc(Cc2cnc(N)nc2N)cc(CC=C)c1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: