Reaction Details |
![](/images/Email.png) | Report a problem with these data |
Target | Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] |
---|
Ligand | BDBM50090050 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_138494 (CHEMBL749723) |
---|
Ki | 1633±n/a nM |
---|
Citation | Yuthavong, Y; Vilaivan, T; Chareonsethakul, N; Kamchonwongpaisan, S; Sirawaraporn, W; Quarrell, R; Lowe, G Development of a lead inhibitor for the A16V+S108T mutant of dihydrofolate reductase from the cycloguanil-resistant strain (T9/94) of Plasmodium falciparum. J Med Chem43:2738-44 (2000) [PubMed] |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] |
---|
Name: | Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] |
Synonyms: | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant A16V, S108T |
Type: | n/a |
Mol. Mass.: | 71783.51 |
Organism: | Plasmodium falciparum |
Description: | Q8I1R6[A16V,S108T] |
Residue: | 608 |
Sequence: | MMEQVCDVFDIYAICVCCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTTWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
|
|
|
BDBM50090050 |
---|
n/a |
---|
Name | BDBM50090050 |
Synonyms: | 1-(4-Fluoro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL7005 |
Type | Small organic molecule |
Emp. Form. | C11H14FN5 |
Mol. Mass. | 235.2608 |
SMILES | CC1(C)N=C(N)N=C(N)N1c1ccc(F)cc1 |t:3,6| |
Structure |
|