Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50108175
Substrate
n/a
Meas. Tech.
ChEMBL_55098 (CHEMBL665358)
IC50
3300±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Queener, SF Inhibition of Pneumocystis carinii, Toxoplasma gondii, and Mycobacterium avium dihydrofolate reductases by 2,4-diamino-5-[2-methoxy-5-(omega-carboxyalkyloxy)benzyl]pyrimidines: marked improvement in potency relative to trimethoprim and species selectivity relative to piritrexim. J Med Chem 45:233-41 (2001) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
19884.75
Organism:
Mycobacterium avium
Description:
Recombinant Mycobacterium avium DHFR expressed in E. coli.
Residue:
181
Sequence:
MTRAEVGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRPLPGRRNVVVSRRPDFVAEGARVAGSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEVTEIEIDLRRDDDDALAPALDDSWVGETGEWLASRSGLRYRFHSYRRDPRSSVRGCSPSRPS
  
Inhibitor
Name:
BDBM50108175
Synonyms:
5-(2-Methoxy-5-octyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL78648
Type:
Small organic molecule
Emp. Form.:
C20H30N4O2
Mol. Mass.:
358.4778
SMILES:
CCCCCCCCOc1ccc(OC)c(Cc2cnc(N)nc2N)c1
Structure:
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