Ki Summary

Reaction Details

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Target

Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T]

Ligand

BDBM50090071

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_138494 (CHEMBL749723)

38.7±n/a nM

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]

More Info.:

Get all data from this article, Assay Method

Bifunctional dihydrofolate reductase-thymidylate synthase [A16V,S108T]

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

BDBM50090071

n/a

Name

BDBM50090071

Synonyms:

1-(3-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL13636

Type

Small organic molecule

Emp. Form.

C10H12ClN5

Mol. Mass.

237.689

SMILES

CC1N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:2,5|

Structure