Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50066490
Substrate
n/a
Meas. Tech.
ChEMBL_54386 (CHEMBL666736)
IC50
7.8±n/a nM
Citation
 Gangjee, A; Vidwans, AP; Vasudevan, A; Queener, SF; Kisliuk, RL; Cody, V; Li, R; Galitsky, N; Luft, JR; Pangborn, W Structure-based design and synthesis of lipophilic 2,4-diamino-6-substituted quinazolines and their evaluation as inhibitors of dihydrofolate reductases and potential antitumor agents. J Med Chem 41:3426-34 (1998) [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:
BDBM50066490
Synonyms:
2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE | CHEMBL325434 | N*6*-(2,5-Dimethoxy-benzyl)-N*6*-methyl-quinazoline-2,4,6-triamine | N6-(2,5-dimethoxybenzyl)-N6-methylquinazoline-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C18H21N5O2
Mol. Mass.:
339.3916
SMILES:
COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1
Structure:
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