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Target
Genome polyprotein
Ligand
BDBM50506855
Substrate
n/a
Meas. Tech.
ChEMBL_1827543 (CHEMBL4327417)
IC50
145000±n/a nM
Citation
 Hernandez, J; Hoffer, L; Coutard, B; Querat, G; Roche, P; Morelli, X; Decroly, E; Barral, K Optimization of a fragment linking hit toward Dengue and Zika virus NS5 methyltransferases inhibitors. Eur J Med Chem 161:323-333 (2019) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Nonstructural protein 5
Type:
PROTEIN
Mol. Mass.:
102978.18
Organism:
Dengue virus
Description:
ChEMBL_117874
Residue:
900
Sequence:
GTGNTGETLGEKWKNRLNSLGKSEFQIYKRSGIQEVDRTLAKEGIKRGETDHHAVSRGSAKLRWFVERNLVTPEGKVVDLGCGRGGWSYYCGGLKNVREVRGLTKGGPGHEEPIPMSTYGWNLVRLQSGVDVFFTPPEKCDTLLCDIGESSPNPTVEAGRTLRVLNLVENWLNNNTQFCIKVLNPYMPSVIEKMETLQRKYGGALVRNPLSRNSTHEMYWVSNASGNIVSSVNMISRMLINRFTMRHKKATYEPDVDLGSGTRNIGIESETPNLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKQTGSASSVVNGVVRLLTKPWDVIPMVTQMAMTDTTPFGQQRVFKEKVDTRTQEPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFARKVRSNAALGAIFTDENKWKSAREAVEDSRFWELVDKERNLHLEGKCETCVYNMMGKREKKIGEFGKAKGSRAVWYMWLGARFLEFEALGFLNEDHWFSRENSLSGVEGEGLHKLGYILREVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTPRGTVMDIISRRDQRSSGQVGTYGLNTFTNMGAQLIRQMEGEGVFKGIQHLTATEEVAVQDWLARVGRERLSRMAISGDDCVVKPLDDRFASALTALNDMGKVRKDIQQWEPSRGWNDWTQVPFCSHHFHELIMKDGRVLVVPCRNQDELIGRARISQGAGWSLRETACLGKSYAQMWSLMYFHRRGLRLAANAICSAVPSHWVPTSRTTWSIHARHEWMTTEDMLTVWNRVWIQENPWMEDKTPVESWEEIPYLGKRGDQWCGSLIGLTSRATWARNIQTAINRVRSLIGSEGYTDYMPSMKRFRREEDEAGVLW
  
Inhibitor
Name:
BDBM50506855
Synonyms:
CHEMBL4454666
Type:
Small organic molecule
Emp. Form.:
C22H17F3N4O7S
Mol. Mass.:
538.453
SMILES:
OC(=O)c1cccc(CNS(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3[N+]([O-])=O)C(F)(F)F)cc2)c1
Structure:
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