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Target
Dihydrofolate reductase
Ligand
BDBM50007817
Substrate
n/a
Meas. Tech.
ChEMBL_1337106 (CHEMBL3239991)
IC50
30±n/a nM
Citation
 G-Dayanandan, N; Paulsen, JL; Viswanathan, K; Keshipeddy, S; Lombardo, MN; Zhou, W; Lamb, KM; Sochia, AE; Alverson, JB; Priestley, ND; Wright, DL; Anderson, AC Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata. J Med Chem 57:2643-56 (2014) [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:
BDBM50007817
Synonyms:
CHEMBL3234115
Type:
Small organic molecule
Emp. Form.:
C22H22N4O
Mol. Mass.:
358.4363
SMILES:
COc1ccc(cc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1
Structure:
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