Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50298819
Substrate
n/a
Meas. Tech.
ChEMBL_588095 (CHEMBL1044821)
IC50
30±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:
BDBM50298819
Synonyms:
(S)-5-(3-(4',5-dimethoxybiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | CHEMBL574564
Type:
Small organic molecule
Emp. Form.:
C23H24N4O2
Mol. Mass.:
388.4623
SMILES:
COc1ccc(cc1)-c1cc(OC)cc(c1)[C@H](C)C#Cc1c(C)nc(N)nc1N |r|
Structure:
Search PDB for entries with ligand similarity: