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Target
Dihydrofolate reductase
Ligand
BDBM50329608
Substrate
n/a
Meas. Tech.
ChEMBL_947633 (CHEMBL2340620)
IC50
33±n/a nM
Citation
 Paulsen, JL; Viswanathan, K; Wright, DL; Anderson, AC Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. Bioorg Med Chem Lett 23:1279-84 (2013) [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:
BDBM50329608
Synonyms:
6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-ynyl)pyrimidine-2,4-diamine | 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | CHEMBL1230365 | Propargyl-substituted antifolate, 14
Type:
Small organic molecule
Emp. Form.:
C19H24N4O3
Mol. Mass.:
356.4189
SMILES:
COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N
Structure:
Search PDB for entries with ligand similarity: