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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18785
Substrate
n/a
Meas. Tech.
ChEMBL_55397 (CHEMBL667200)
Ki
6.5±n/a nM
Citation
 Kamchonwongpaisan, S; Quarrell, R; Charoensetakul, N; Ponsinet, R; Vilaivan, T; Vanichtanankul, J; Tarnchompoo, B; Sirawaraporn, W; Lowe, G; Yuthavong, Y Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities. J Med Chem 47:673-80 (2004) [PubMed]  Article 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
PfDHFR-TS double mutant (C59R+S108N) | DHFR-TS | Dihydrofolate reductase | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 | DRTS_PLAFK
Type:
Enzyme
Mol. Mass.:
71822.51
Organism:
Plasmodium Falciparum
Description:
The mutant clone was prepared by cassette mutagenesis using wildtype pfDHFR as a template, and expressed in E. coli.
Residue:
608
Sequence:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCIKGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA
  
Inhibitor
Name:
BDBM18785
Synonyms:
5-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine | CHEMBL22039 | P38
Type:
Small organic molecule
Emp. Form.:
C11H11ClN4
Mol. Mass.:
234.07
SMILES:
Cc1nc(N)nc(N)c1-c1cccc(Cl)c1
Structure:
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