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Target
Dihydrofolate reductase
Ligand
BDBM50429698
Substrate
n/a
Meas. Tech.
ChEMBL_947633 (CHEMBL2340620)
IC50
61±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:
BDBM50429698
Synonyms:
CHEMBL2335418
Type:
Small organic molecule
Emp. Form.:
C21H21N5O
Mol. Mass.:
359.4243
SMILES:
COc1cc(cc(c1)-c1ccncc1)C(C)C#Cc1c(C)nc(N)nc1N
Structure:
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