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TargetBifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T]
LigandBDBM50090063
Substrate/Competitorn/a
Meas. Tech.ChEMBL_138604 (CHEMBL748154)
Ki 10±n/a nM
Citation Yuthavong, YVilaivan, TChareonsethakul, NKamchonwongpaisan, SSirawaraporn, WQuarrell, RLowe, G Development of a lead inhibitor for the A16V+S108T mutant of dihydrofolate reductase from the cycloguanil-resistant strain (T9/94) of Plasmodium falciparum. J Med Chem43:2738-44 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T]
Name:Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T]
Synonyms:Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant A16V, S108T
Type:n/a
Mol. Mass.:71783.51
Organism:Plasmodium falciparum
Description:Q8I1R6[A16V,S108T]
Residue:608
Sequence:
MMEQVCDVFDIYAICVCCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTTWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50090063
n/a
NameBDBM50090063
Synonyms:1-(3-Chloro-phenyl)-6-phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(3-chlorophenyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL329687
TypeSmall organic molecule
Emp. Form.C15H14ClN5
Mol. Mass.299.758
SMILESNC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccccc1 |c:6,t:1|
Structure
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