Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50298822
Substrate
n/a
Meas. Tech.
ChEMBL_588095 (CHEMBL1044821)
IC50
34±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:
BDBM50298822
Synonyms:
(R)-5-(3-(4'-tert-butyl-5-methoxybiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | CHEMBL574949
Type:
Small organic molecule
Emp. Form.:
C26H30N4O
Mol. Mass.:
414.5426
SMILES:
COc1cc(cc(c1)-c1ccc(cc1)C(C)(C)C)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
Structure:
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