Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50058397
Substrate
n/a
Meas. Tech.
ChEMBL_52849 (CHEMBL665053)
IC50
260±n/a nM
Citation
 Stevens, MF; Phillip, KS; Rathbone, DL; O'Shea, DM; Queener, SF; Schwalbe, CH; Lambert, PA Structural studies on bioactive compounds. 28. Selective activity of triazenyl-substituted pyrimethamine derivatives against Pneumocystis carinii dihydrofolate reductase. J Med Chem 40:1886-93 (1997) [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:
BDBM50058397
Synonyms:
2,4-Diamino-5-[3-[3-benzyl-3-(2-hydroxyethyl)triazen-1-yl]-4-chlorophenyl]-6-ethylpyrimidine | 2,4-Diamino-5-{3-[3-benzyl-3-(2-hydroxyethyl)(triazen-1-yl]-4-chlorophenyl}-6-ethylpyrimidine | CHEMBL298538
Type:
Small organic molecule
Emp. Form.:
C21H24ClN7O
Mol. Mass.:
425.915
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCO)Cc1ccccc1
Structure:
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