| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L] |
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| Ligand | BDBM18793 |
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| Substrate/Competitor | BDBM18044 |
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| Meas. Tech. | Antimalarial Testing In Vitro (IC50) and Measurement of Inhibition Constant (Ki) |
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| pH | 7±n/a |
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| Temperature | 298.15±n/a K |
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| Ki | 0.037±0.005 nM |
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| IC50 | 18±10 nM |
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| Citation |  Yuvaniyama, J; Chitnumsub, P; Kamchonwongpaisan, S; Vanichtanankul, J; Sirawaraporn, W; Taylor, P; Walkinshaw, MD; Yuthavong, Y Insights into antifolate resistance from malarial DHFR-TS structures. Nat Struct Biol10:257-65 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Bifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L] |
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| Name: | Bifunctional dihydrofolate reductase-thymidylate synthase [N51I,C59R,S108N,I164L] |
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| Synonyms: | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S | PfDHFR-TS quadruple mutant (N51I+C59R+S108N+I164L) |
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| Type: | Enzyme |
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| Mol. Mass.: | 71821.56 |
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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: | MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCISLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFILGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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| BDBM18793 |
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| BDBM18044 |
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| Name | BDBM18793 |
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| Synonyms: | 6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL129788 | WR99210 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H18Cl3N5O2 |
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| Mol. Mass. | 394.684 |
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| SMILES | CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6| |
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| Structure | 
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