Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50127145
Substrate
n/a
Meas. Tech.
ChEMBL_55103 (CHEMBL665363)
IC50
7.8±n/a nM
Citation
 Rosowsky, A; Forsch, RA; Queener, SF Further studies on 2,4-diamino-5-(2',5'-disubstituted benzyl)pyrimidines as potent and selective inhibitors of dihydrofolate reductases from three major opportunistic pathogens of AIDS. J Med Chem 46:1726-36 (2003) [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:
BDBM50127145
Synonyms:
6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenyl]-hex-5-ynoic acid | CHEMBL37334
Type:
Small organic molecule
Emp. Form.:
C18H20N4O3
Mol. Mass.:
340.3764
SMILES:
COc1ccc(cc1Cc1cnc(N)nc1N)C#CCCCC(O)=O
Structure:
Search PDB for entries with ligand similarity: