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Target
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T]
Ligand
BDBM50090062
Substrate
n/a
Meas. Tech.
ChEMBL_138494 (CHEMBL749723)
Ki
17.8±n/a nM
Citation
 Yuthavong, Y; Vilaivan, T; Chareonsethakul, N; Kamchonwongpaisan, S; Sirawaraporn, W; Quarrell, R; Lowe, 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 Chem 43:2738-44 (2000) [PubMed]  Article 
Target
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:
MMEQVCDVFDIYAICVCCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTTWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCIKGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA
  
Inhibitor
Name:
BDBM50090062
Synonyms:
1-(3,4-Dichloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL93153
Type:
Small organic molecule
Emp. Form.:
C10H11Cl2N5
Mol. Mass.:
272.134
SMILES:
CC1N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1 |t:2,5|
Structure:
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