| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM18791 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_55275 (CHEMBL663728) |
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| Ki | 1.9±n/a nM |
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| Citation |  Kamchonwongpaisan, S; Quarrell, R; Charoensetakul, N; Ponsinet, R; Vilaivan, T; Vanichtanankul, J; Tarnchompoo, B; Sirawaraporn, W; Lowe, G; Yuthavong, Y Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities. J Med Chem47:673-80 (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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| BDBM18791 |
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| n/a |
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| Name | BDBM18791 |
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| Synonyms: | 5-phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine | CHEMBL22693 | P33 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H20N4 |
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| Mol. Mass. | 304.3889 |
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| SMILES | Nc1nc(N)c(-c2ccccc2)c(CCCc2ccccc2)n1 |
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| Structure | 
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