Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S
LigandBDBM18512
Substrate/CompetitorBDBM18044
Meas. Tech.Antimalarial Testing In Vitro (IC50) and Measurement of Inhibition Constant (Ki)
pH7±n/a
Temperature298.15±n/a K
Ki 283±22 nM
IC50>100000±n/a nM
Citation Yuvaniyama JChitnumsub PKamchonwongpaisan SVanichtanankul JSirawaraporn WTaylor PWalkinshaw MDYuthavong Y Insights into antifolate resistance from malarial DHFR-TS structures. Nat Struct Biol 10:257-65 (2003) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S
Name:Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S
Synonyms:PfDHFR-TS quadruple mutant (N51I+C59R+S108N+I164L)
Type:Enzyme
Mol. Mass.:71821.56
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:
MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18512
BDBM18044
NameBDBM18512
Synonyms:5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CHEMBL36 | Pyrimethamine (Pyr) | cid_4993
TypeSmall organic molecule
Emp. Form.C12H13ClN4
Mol. Mass.248.711
SMILESCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: