Reaction Details |
| Report a problem with these data |
Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
---|
Ligand | BDBM18788 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_55402 (CHEMBL668411) |
---|
Ki | 2.3±n/a nM |
---|
Citation | Tarnchompoo, B; Sirichaiwat, C; Phupong, W; Intaraudom, C; Sirawaraporn, W; Kamchonwongpaisan, S; Vanichtanankul, J; Thebtaranonth, Y; Yuthavong, Y Development of 2,4-diaminopyrimidines as antimalarials based on inhibition of the S108N and C59R+S108N mutants of dihydrofolate reductase from pyrimethamine-resistant Plasmodium falciparum. J Med Chem45:1244-52 (2002) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Bifunctional dihydrofolate reductase-thymidylate synthase |
---|
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: | MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
|
|
|
BDBM18788 |
---|
n/a |
---|
Name | BDBM18788 |
Synonyms: | 6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL22148 | P20 |
Type | Small organic molecule |
Emp. Form. | C12H14N4 |
Mol. Mass. | 214.2664 |
SMILES | CCc1nc(N)nc(N)c1-c1ccccc1 |
Structure |
|