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TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
LigandBDBM50138945
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
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  Blast E-value cutoff:
BDBM50138945
n/a
NameBDBM50138945
Synonyms:1-(3-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(3-chlorophenyl)-6-(4-phenoxyphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL161451
TypeSmall organic molecule
Emp. Form.C21H18ClN5O
Mol. Mass.391.854
SMILESNC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1|
Structure
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