| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50081909 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_155469 (CHEMBL769665) |
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| IC50 | 15220±n/a nM |
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| Citation |  Sirichaiwat, C; Intaraudom, C; Kamchonwongpaisan, S; Vanichtanankul, J; Thebtaranonth, Y; Yuthavong, Y Target guided synthesis of 5-benzyl-2,4-diamonopyrimidines: their antimalarial activities and binding affinities to wild type and mutant dihydrofolate reductases from Plasmodium falciparum. J Med Chem47:345-54 (2004) [PubMed] Article |
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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 |
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| Synonyms: | DHFR-TS | DRTS_PLAFK | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 | Dihydrofolate reductase | PfDHFR-TS double mutant (C59R+S108N) |
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| Type: | Enzyme |
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| Mol. Mass.: | 71822.51 |
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| Organism: | Plasmodium falciparum (isolate K1 / Thailand) |
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| Description: | The mutant clone was prepared by cassette mutagenesis using wildtype pfDHFR as a template, and expressed in E. coli. |
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| Residue: | 608 |
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| Sequence: | MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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| BDBM50081909 |
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| n/a |
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| Name | BDBM50081909 |
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| Synonyms: | 5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-(3-Benzyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL274031 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18N4O |
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| Mol. Mass. | 306.3617 |
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| SMILES | Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 |
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| Structure | 
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