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Target
Genome polyprotein
Ligand
BDBM50506848
Substrate
n/a
Meas. Tech.
ChEMBL_1827543 (CHEMBL4327417)
IC50
24000±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:
BDBM50506848
Synonyms:
CHEMBL4556728
Type:
Small organic molecule
Emp. Form.:
C30H24F3N3O8S
Mol. Mass.:
643.587
SMILES:
Nc1cc(ccc1NC(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(CC(=O)Oc2cccc(CC(O)=O)c2)c1)C(F)(F)F
Structure:
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