Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50026306
Substrate
n/a
Meas. Tech.
ChEBML_54542
Ki
0.860000±n/a nM
Citation
 Kuyper, LF; Roth, B; Baccanari, DP; Ferone, R; Beddell, CR; Champness, JN; Stammers, DK; Dann, JG; Norrington, FE; Baker, DJ Receptor-based design of dihydrofolate reductase inhibitors: comparison of crystallographically determined enzyme binding with enzyme affinity in a series of carboxy-substituted trimethoprim analogues. J Med Chem 28:303-11 (1985) [PubMed]  Article 
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:
BDBM50026306
Synonyms:
6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-hexanoic acid methyl ester | CHEMBL13796 | TCMDC-137678
Type:
Small organic molecule
Emp. Form.:
C20H28N4O5
Mol. Mass.:
404.4601
SMILES:
COC(=O)CCCCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Structure:
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