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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50090051
Substrate
n/a
Meas. Tech.
ChEMBL_216586 (CHEMBL821378)
Ki
1.8±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
Synonyms:
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
Type:
n/a
Mol. Mass.:
71741.43
Organism:
Plasmodium falciparum
Description:
n/a
Residue:
608
Sequence:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCIKGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA
  
Inhibitor
Name:
BDBM50090051
Synonyms:
6,6-Dimethyl-1-p-tolyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL7004
Type:
Small organic molecule
Emp. Form.:
C12H17N5
Mol. Mass.:
231.2969
SMILES:
Cc1ccc(cc1)N1C(N)=NC(N)=NC1(C)C |c:10,13|
Structure:
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