| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50110762 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_55401 (CHEMBL668410) |
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| Ki | 4±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 |
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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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| BDBM50110762 |
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| n/a |
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| Name | BDBM50110762 |
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| Synonyms: | 5-(3-Chloro-phenyl)-6-[3-(4-methoxy-phenyl)-propyl]-pyrimidine-2,4-diamine | 5-(3-chlorophenyl)-6-(3-(4-methoxyphenyl)propyl)pyrimidine-2,4-diamine | CHEMBL278813 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H21ClN4O |
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| Mol. Mass. | 368.86 |
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| SMILES | COc1ccc(CCCc2nc(N)nc(N)c2-c2cccc(Cl)c2)cc1 |
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| Structure | 
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