Target
Bifunctional dihydrofolate reductase-thymidylate synthase
Ligand
BDBM18793
Substrate
n/a
Meas. Tech.
ChEMBL_521654 (CHEMBL998901)
Ki
292±n/a nM
Citation
 Japrung, DLeartsakulpanich, UChusacultanachai, SYuthavong, Y Conflicting requirements of Plasmodium falciparum dihydrofolate reductase mutations conferring resistance to pyrimethamine-WR99210 combination. Antimicrob Agents Chemother 51:4356-60 (2007) [PubMed]  Article 
Target
Name:
Bifunctional dihydrofolate reductase-thymidylate synthase
Synonyms:
Bifunctional dihydrofolate reductase-thymidylate synthase (DHFR-TS) | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) | PfDHFR-TS
Type:
Enzyme
Mol. Mass.:
71741.43
Organism:
Plasmodium falciparum (isolate K1 / Thailand)
Description:
PfDHFR-TS wild-type (TM4/8.2) was expressed and purified from E. coli.
Residue:
608
Sequence:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTSWESIPKKFKPLSNRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCIKGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKEEKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA
  
Inhibitor
Name:
BDBM18793
Synonyms:
6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL129788 | WR99210
Type:
Small organic molecule
Emp. Form.:
C14H18Cl3N5O2
Mol. Mass.:
394.684
SMILES:
CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6|
Structure:
Search PDB for entries with ligand similarity: