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TargetBifunctional dihydrofolate reductase-thymidylate synthase
LigandBDBM18778
Substrate/Competitorn/a
Meas. Tech.ChEMBL_55402 (CHEMBL668411)
Ki 0.3±n/a nM
Citation Tarnchompoo, BSirichaiwat, CPhupong, WIntaraudom, CSirawaraporn, WKamchonwongpaisan, SVanichtanankul, JThebtaranonth, YYuthavong, Y Development of 2,4-diaminopyrimidines as antimalarials based on inhibition of the S108N and C59R+S108N mutants of dihydrofolate reductase from pyrimethamine-resistant Plasmodium falciparum. J Med Chem45:1244-52 (2002) [PubMed]
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:
BDBM18778
n/a
NameBDBM18778
Synonyms:CHEMBL22405 | P16 | methyl 4-[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]butanoate
TypeSmall organic molecule
Emp. Form.C15H17ClN4O2
Mol. Mass.320.774
SMILESCOC(=O)CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Structure
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