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Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM50138962
Substrate
n/a
Meas. Tech.
ChEMBL_216585 (CHEMBL821377)
Ki
0.4±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:
DHFR-TS | DRTS_PLAFK | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 | Dihydrofolate reductase | PfDHFR-TS double mutant (C59R+S108N)
Type:
Enzyme
Mol. Mass.:
71822.51
Organism:
Plasmodium falciparum (isolate K1 / Thailand)
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:
BDBM50138962
Synonyms:
1-(4-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(4-chlorophenyl)-6-(4-phenoxyphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL161034
Type:
Small organic molecule
Emp. Form.:
C21H18ClN5O
Mol. Mass.:
391.854
SMILES:
NC1=NC(N(C(N)=N1)c1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1|
Structure:
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