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Target
Genome polyprotein
Ligand
BDBM50464495
Substrate
n/a
Meas. Tech.
ChEMBL_1780780 (CHEMBL4252297)
IC50
4700±n/a nM
Citation
 Cannalire, R; Tarantino, D; Astolfi, A; Barreca, ML; Sabatini, S; Massari, S; Tabarrini, O; Milani, M; Querat, G; Mastrangelo, E; Manfroni, G; Cecchetti, V Functionalized 2,1-benzothiazine 2,2-dioxides as new inhibitors of Dengue NS5 RNA-dependent RNA polymerase. Eur J Med Chem 143:1667-1676 (2018) [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:
BDBM50464495
Synonyms:
CHEMBL4281097
Type:
Small organic molecule
Emp. Form.:
C22H15BrN2O8S
Mol. Mass.:
547.332
SMILES:
COc1ccc(cc1[N+]([O-])=O)C(=O)OC1=CS(=O)(=O)Nc2ccc(Oc3cccc(Br)c3)cc12 |t:15|
Structure:
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