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TargetDihydrofolate Reductase (DHFR)
LigandBDBM50298828
Substrate/Competitorn/a
Meas. Tech.ChEMBL_588095
IC50 45±n/a nM
Citation Paulsen, JLLiu, JBolstad, DBSmith, AEPriestley, NDWright, DLAnderson, AC In vitro biological activity and structural analysis of 2,4-diamino-5-(2'-arylpropargyl)pyrimidine inhibitors of Candida albicans. Bioorg Med Chem17:4866-72 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate Reductase (DHFR)
Name:Dihydrofolate Reductase (DHFR)
Synonyms: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:
MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWE
SIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNE
LINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEG
DFTYNYTLWTRK
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  Blast E-value cutoff:
BDBM50298828
NameBDBM50298828
Synonyms:(R)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine | 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | CHEMBL573077
TypeSmall organic molecule
Emp. Form.C24H26N4O
Mol. Mass.386.4894
SMILESCOc1cc(cc(c1)-c1c(C)cccc1C)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
Structure
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