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TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
LigandBDBM18793
Substrate/CompetitorBDBM18044
Meas. Tech.Antimalarial Testing In Vitro (IC50) and Measurement of Inhibition Constant (Ki)
pH7±n/a
Temperature298.15±n/a K
Ki 0.011±0.003 nM
IC50 0.57±0.1 nM
Citation Yuvaniyama JChitnumsub PKamchonwongpaisan SVanichtanankul JSirawaraporn WTaylor PWalkinshaw MDYuthavong Y Insights into antifolate resistance from malarial DHFR-TS structures. Nat Struct Biol 10:257-65 (2003) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
Name:Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
Synonyms:Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS) | PfDHFR-TS
Type:Enzyme
Mol. Mass.:71741.43
Organism:Plasmodium falciparum (isolate K1 / Thailand)
Description:PfDHFR-TS wild-type (TM4/8.2) was expressed and purified from E. coli.
Residue:608
Sequence:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTSWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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  Blast E-value cutoff:
BDBM18793
BDBM18044
NameBDBM18793
Synonyms:6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL129788 | WR99210
TypeSmall organic molecule
Emp. Form.C14H18Cl3N5O2
Mol. Mass.394.684
SMILESCC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6|
Structure
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