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Target
Dihydrofolate reductase
Ligand
BDBM50066489
Substrate
n/a
Meas. Tech.
ChEMBL_54386 (CHEMBL666736)
IC50
150±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:
BDBM50066489
Synonyms:
CHEMBL114839 | N*6*-(5,6,7,8-Tetrahydro-naphthalen-1-ylmethyl)-quinazoline-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C19H21N5
Mol. Mass.:
319.4035
SMILES:
Nc1nc(N)c2cc(NCc3cccc4CCCCc34)ccc2n1
Structure:
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