Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50082923
Substrate
n/a
Meas. Tech.
ChEMBL_55105 (CHEMBL665365)
IC50
17±n/a nM
Citation
 Rosowsky, A; Cody, V; Galitsky, N; Fu, H; Papoulis, AT; Queener, SF Structure-based design of selective inhibitors of dihydrofolate reductase: synthesis and antiparasitic activity of 2, 4-diaminopteridine analogues with a bridged diarylamine side chain. J Med Chem 42:4853-60 (1999) [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:
BDBM50082923
Synonyms:
6-(9H-Acridin-10-ylmethyl)-pteridine-2,4-diamine | 6-(acridin-10(9H)-ylmethyl)pteridine-2,4-diamine | CHEMBL144839
Type:
Small organic molecule
Emp. Form.:
C20H17N7
Mol. Mass.:
355.3959
SMILES:
Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc34)cnc2n1
Structure:
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