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TargetBifunctional dihydrofolate reductase-thymidylate synthase
LigandBDBM50138960
Substrate/Competitorn/a
Meas. Tech.ChEMBL_216585 (CHEMBL821377)
Ki 1.5±n/a nM
Citation Kamchonwongpaisan, SQuarrell, RCharoensetakul, NPonsinet, RVilaivan, TVanichtanankul, JTarnchompoo, BSirawaraporn, WLowe, GYuthavong, Y Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities. J Med Chem47:673-80 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Bifunctional dihydrofolate reductase-thymidylate synthase
Name:Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:DHFR-TS | DRTS_PLAFK | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 | Dihydrofolate reductase | PfDHFR-TS double mutant (C59R+S108N)
Type:Enzyme
Mol. Mass.:71822.51
Organism:Plasmodium falciparum (isolate K1 / Thailand)
Description:The mutant clone was prepared by cassette mutagenesis using wildtype pfDHFR as a template, and expressed in E. coli.
Residue:608
Sequence:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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  Blast E-value cutoff:
BDBM50138960
n/a
NameBDBM50138960
Synonyms:3-(2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl)propyl benzoate | Benzoic acid 3-[2,6-diamino-5-(3-chloro-phenyl)-pyrimidin-4-yl]-propyl ester | CHEMBL346932
TypeSmall organic molecule
Emp. Form.C20H19ClN4O2
Mol. Mass.382.843
SMILESNc1nc(N)c(c(CCCOC(=O)c2ccccc2)n1)-c1cccc(Cl)c1
Structure
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