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TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
LigandBDBM50138952
Substrate/Competitorn/a
Meas. Tech.ChEMBL_55275
Ki 0.3±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 Chem 47:673-80 (2004) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
Name:Dihydrofolate reductase
Synonyms:DHFR-TS | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50138952
n/a
NameBDBM50138952
Synonyms:1-(3-Chloro-phenyl)-6-heptyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(3-chlorophenyl)-6-heptyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL346963
TypeSmall organic molecule
Emp. Form.C16H24ClN5
Mol. Mass.321.848
SMILESCCCCCCCC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:8,11|
Structure
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