| Reaction Details |
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 | Report a problem with these data |
| Target | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 |
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| Ligand | BDBM50138945 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_216585 |
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| Ki | 0.7±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 Chem 47:673-80 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 |
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| Name: | Dihydrofolate reductase |
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| Synonyms: | DHFR-TS | 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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| BDBM50138945 |
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| n/a |
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| Name | BDBM50138945 |
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| Synonyms: | 1-(3-Chloro-phenyl)-6-(4-phenoxy-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine | 1-(3-chlorophenyl)-6-(4-phenoxyphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine | CHEMBL161451 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H18ClN5O |
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| Mol. Mass. | 391.854 |
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| SMILES | NC1=NC(N(C(N)=N1)c1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |c:6,t:1| |
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| Structure | 
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