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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50090047
Substrate
n/a
Meas. Tech.
ChEMBL_216586 (CHEMBL821378)
Ki
4.6±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:
BDBM50090047
Synonyms:
1-(4-Chloro-phenyl)-6-propyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL90703
Type:
Small organic molecule
Emp. Form.:
C12H16ClN5
Mol. Mass.:
265.742
SMILES:
CCCC1N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:4,7|
Structure:
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