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TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S
LigandBDBM18792
Substrate/CompetitorBDBM18044
Meas. Tech.Antimalarial Testing In Vitro (IC50) and Measurement of Inhibition Constant (Ki)
pH7±n/a
Temperature298.15±n/a K
Ki 254±33 nM
IC50>100000±n/a 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) Mutant V1/S
Name:Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S
Synonyms:PfDHFR-TS quadruple mutant (N51I+C59R+S108N+I164L)
Type:Enzyme
Mol. Mass.:71821.56
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:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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  Blast E-value cutoff:
BDBM18792
BDBM18044
NameBDBM18792
Synonyms:1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL747 | Chlorazin | Cycloguanil
TypeSmall organic molecule
Emp. Form.C11H14ClN5
Mol. Mass.251.715
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6|
Structure
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