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TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
LigandBDBM18512
Substrate/Competitorn/a
Meas. Tech.ChEMBL_209306
Ki 1.5±n/a nM
Citation McKie JHDouglas KTChan CRoser SAYates RRead MHyde JEDascombe MJYuthavong YSirawaraporn W Rational drug design approach for overcoming drug resistance: application to pyrimethamine resistance in malaria. J Med Chem 41:1367-70 (1998) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
Name:Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
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:
BDBM18512
n/a
NameBDBM18512
Synonyms:5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CHEMBL36 | Pyrimethamine (Pyr) | cid_4993
TypeSmall organic molecule
Emp. Form.C12H13ClN4
Mol. Mass.248.711
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Structure
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