Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM50110764 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_55401 (CHEMBL668410) |
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Ki | 415.2±n/a nM |
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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] |
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More Info.: | Get all data from this article, Assay Method |
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Bifunctional dihydrofolate reductase-thymidylate synthase |
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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
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BDBM50110764 |
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n/a |
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Name | BDBM50110764 |
Synonyms: | 5-(3,5-Dibromo-4-ethoxy-phenyl)-6-ethyl-pyrimidine-2,4-diamine | CHEMBL22271 |
Type | Small organic molecule |
Emp. Form. | C14H16Br2N4O |
Mol. Mass. | 416.111 |
SMILES | CCOc1c(Br)cc(cc1Br)-c1c(N)nc(N)nc1CC |
Structure |
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