Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50102500
Substrate
n/a
Meas. Tech.
ChEBML_54973
IC50
3830±n/a nM
Citation
 Chan, DC; Laughton, CA; Queener, SF; Stevens, MF Structural studies on bioactive compounds. 34. Design, synthesis, and biological evaluation of triazenyl-substituted pyrimethamine inhibitors of Pneumocystis carinii dihydrofolate reductase. J Med Chem 44:2555-64 (2001) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_RAT | Dhfr | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21638.84
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
  
Inhibitor
Name:
BDBM50102500
Synonyms:
2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-fluoro benzyl)triazen-1-yl]-4-chlorophenyl}-6-ethylpyrimidine | CHEMBL87549
Type:
Small organic molecule
Emp. Form.:
C23H25ClFN7O2
Mol. Mass.:
485.942
SMILES:
CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(F)cc1
Structure:
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