Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50029767
Substrate
n/a
Meas. Tech.
ChEMBL_52976 (CHEMBL664184)
IC50
5500±n/a nM
Citation
 Queener, SF New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. J Med Chem 38:4739-59 (1996) [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:
BDBM50029767
Synonyms:
5-{4-chloro-3-[(1E)-3-ethyltriaz-1-enyl]phenyl}-6-ethylpyrimidine-2,4-diamine | CHEMBL357573
Type:
Small organic molecule
Emp. Form.:
C14H18ClN7
Mol. Mass.:
319.793
SMILES:
CCN=NNc1cc(ccc1Cl)-c1c(N)nc(N)nc1CC |w:2.1|
Structure:
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