Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50108172
Substrate
n/a
Meas. Tech.
ChEMBL_55098 (CHEMBL665358)
IC50
150±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:
BDBM50108172
Synonyms:
6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenoxy]-hexanoic acid | CHEMBL285448
Type:
Small organic molecule
Emp. Form.:
C18H24N4O4
Mol. Mass.:
360.4076
SMILES:
COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc(N)nc1N
Structure:
Search PDB for entries with ligand similarity: