Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50298834
Substrate
n/a
Meas. Tech.
ChEMBL_588095 (CHEMBL1044821)
IC50
48±n/a nM
Citation
 Paulsen, JL; Liu, J; Bolstad, DB; Smith, AE; Priestley, ND; Wright, DL; Anderson, AC In vitro biological activity and structural analysis of 2,4-diamino-5-(2'-arylpropargyl)pyrimidine inhibitors of Candida albicans. Bioorg Med Chem 17:4866-72 (2009) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DFR1 | DYR_CANAX | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
22141.77
Organism:
Candida albicans
Description:
C. albicans DHFR was expressed in E. coli BL21, and purified to homogeneity.
Residue:
192
Sequence:
MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK
  
Inhibitor
Name:
BDBM50298834
Synonyms:
(R)-5-(3-methoxy-3-(5-methoxy-2-methylphenyl)prop-1-ynyl)-6-methylpyrimidine-2,4-diamine | CHEMBL575177
Type:
Small organic molecule
Emp. Form.:
C17H20N4O2
Mol. Mass.:
312.3663
SMILES:
CO[C@H](C#Cc1c(C)nc(N)nc1N)c1cc(OC)ccc1C |r|
Structure:
Search PDB for entries with ligand similarity: