Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50369577
Substrate
n/a
Meas. Tech.
ChEMBL_54388 (CHEMBL666738)
IC50
11000±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Effect of C9-methyl substitution and C8-C9 conformational restriction on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem 43:3125-33 (2000) [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:
BDBM50369577
Synonyms:
CHEMBL1237205 | CHEMBL2092925
Type:
Small organic molecule
Emp. Form.:
C21H21N5O6
Mol. Mass.:
439.4213
SMILES:
C\C(=C/c1coc2nc(N)nc(N)c12)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: