Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] |
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Ligand | BDBM50090049 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_138604 (CHEMBL748154) |
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Ki | 127±n/a nM |
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Citation | Yuthavong, Y; Vilaivan, T; Chareonsethakul, N; Kamchonwongpaisan, S; Sirawaraporn, W; Quarrell, R; Lowe, G Development of a lead inhibitor for the A16V+S108T mutant of dihydrofolate reductase from the cycloguanil-resistant strain (T9/94) of Plasmodium falciparum. J Med Chem43:2738-44 (2000) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] |
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Name: | Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T] |
Synonyms: | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant A16V, S108T |
Type: | n/a |
Mol. Mass.: | 71783.51 |
Organism: | Plasmodium falciparum |
Description: | Q8I1R6[A16V,S108T] |
Residue: | 608 |
Sequence: | MMEQVCDVFDIYAICVCCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFCA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTTWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA
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BDBM50090049 |
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n/a |
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Name | BDBM50090049 |
Synonyms: | 1-(4-Bromo-phenyl)-6-propyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL93888 |
Type | Small organic molecule |
Emp. Form. | C12H16BrN5 |
Mol. Mass. | 310.193 |
SMILES | CCCC1N=C(N)N=C(N)N1c1ccc(Br)cc1 |t:4,7| |
Structure |
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