Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50142877
Substrate
n/a
Meas. Tech.
ChEBML_55237
IC50
2.4±n/a nM
Citation
 Forsch, RA; Queener, SF; Rosowsky, A Preliminary in vitro studies on two potent, water-soluble trimethoprim analogues with exceptional species selectivity against dihydrofolate reductase from Pneumocystis carinii and Mycobacterium avium. Bioorg Med Chem Lett 14:1811-5 (2004) [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:
BDBM50142877
Synonyms:
2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE | 6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenyl]-hex-5-ynoic acid | CHEMBL300419
Type:
Small organic molecule
Emp. Form.:
C19H22N4O4
Mol. Mass.:
370.4024
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(C#CCCCC(O)=O)c1OC
Structure:
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