Ki Summary

Reaction Details

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Target

Bifunctional dihydrofolate reductase-thymidylate synthase

Ligand

BDBM50130315

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_55429 (CHEMBL667622)

11400±n/a nM

Citation

Rastelli, G; Pacchioni, S; Sirawaraporn, W; Sirawaraporn, R; Parenti, MD; Ferrari, AM Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors. J Med Chem46:2834-45 (2003) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Bifunctional dihydrofolate reductase-thymidylate synthase

Name:

Bifunctional dihydrofolate reductase-thymidylate synthase

Synonyms:

DHFR-TS | DRTS_PLAFK | Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1 | Dihydrofolate reductase | PfDHFR-TS double mutant (C59R+S108N)

Type:

Enzyme

Mol. Mass.:

71822.51

Organism:

Plasmodium falciparum (isolate K1 / Thailand)

Description:

The mutant clone was prepared by cassette mutagenesis using wildtype pfDHFR as a template, and expressed in E. coli.

Residue:

608

Sequence:

MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGLGNKGVLPWKCNSLDMKYFRA
VTTYVNESKYEKLKYKRCKYLNKETVDNVNDMPNSKKLQNVVVMGRTNWESIPKKFKPLS
NRINVILSRTLKKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQEFLEKKLIK
KIYFTRINSTYECDVFFPEINENEYQIISVSDVYTSNNTTLDFIIYKKTNNKMLNEQNCI
KGEEKNNDMPLKNDDKDTCHMKKLTEFYKNVDKYKINYENDDDDEEEDDFVYFNFNKEKE
EKNKNSIHPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGVGVLSKFGYIMKF
DLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNKNVRIWEANGTREFLDNRKLFH
REVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVK
DLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQP
AQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHE
KISMDMAA

BDBM50130315

n/a

Name

BDBM50130315

Synonyms:

2,3-dihydrazinoquinoxaline | CHEMBL95567

Type

Small organic molecule

Emp. Form.

C8H10N6

Mol. Mass.

190.2052

SMILES

NNc1nc2ccccc2nc1NN

Structure