Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50026305
Substrate/Competitorn/a
Meas. Tech.ChEMBL_54542 (CHEMBL664859)
Ki 2.7±n/a nM
Citation Kuyper, LFRoth, BBaccanari, DPFerone, RBeddell, CRChampness, JNStammers, DKDann, JGNorrington, FEBaker, 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 Chem28:303-11 (1985) [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:
BDBM50026305
n/a
NameBDBM50026305
Synonyms:CHEMBL322001 | [4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-phenoxy]-acetic acid ethyl ester
TypeSmall organic molecule
Emp. Form.C17H22N4O5
Mol. Mass.362.3804
SMILESCCOC(=O)COc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: