Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50253611
Substrate
n/a
Meas. Tech.
ChEMBL_538596 (CHEMBL1026634)
IC50
6.9±n/a nM
Citation
 Gangjee, A; Adair, OO; Pagley, M; Queener, SF N9-substituted 2,4-diaminoquinazolines: synthesis and biological evaluation of lipophilic inhibitors of pneumocystis carinii and toxoplasma gondii dihydrofolate reductase. J Med Chem 51:6195-200 (2008) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_PNECA | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
23891.29
Organism:
Pneumocystis carinii
Description:
n/a
Residue:
206
Sequence:
MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRDL
  
Inhibitor
Name:
BDBM50253611
Synonyms:
2,4-Diamino-6-[N-(2,3,5-trichlorobenzyl)-N-ethylamino]quinazoline | CHEMBL522543
Type:
Small organic molecule
Emp. Form.:
C17H16Cl3N5
Mol. Mass.:
396.701
SMILES:
CCN(Cc1cc(Cl)cc(Cl)c1Cl)c1ccc2nc(N)nc(N)c2c1
Structure:
Search PDB for entries with ligand similarity: