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TargetDihydrofolate Reductase (DHFR)
LigandBDBM50066490
Substrate/Competitorn/a
Meas. Tech.ChEMBL_52968
IC50 87±n/a nM
Citation Gangjee, AVidwans, APVasudevan, AQueener, SFKisliuk, RLCody, VLi, RGalitsky, NLuft, JRPangborn, 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 Chem41:3426-34 (1998) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate Reductase (DHFR)
Name:Dihydrofolate reductase; P. carinii vs rat
Synonyms:Dihydrofolate reductase | Tetrahydrofolate dehydrogenase
Type:Enzyme
Mol. Mass.:23891.29
Organism:Pneumocystis carinii
Description:n/a
Residue:206
Sequence:
MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRK
TWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRI
FVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESW
VGTKVPHGKINEDGFDYEFEMWTRDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50066490
NameBDBM50066490
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
TypeSmall organic molecule
Emp. Form.C18H21N5O2
Mol. Mass.339.3916
SMILESCOc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1
Structure
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n/a