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Target
Genome polyprotein
Ligand
BDBM50464498
Substrate
n/a
Meas. Tech.
ChEMBL_1780780 (CHEMBL4252297)
IC50
2600±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:
BDBM50464498
Synonyms:
CHEMBL4279581
Type:
Small organic molecule
Emp. Form.:
C22H16BrNO5S
Mol. Mass.:
486.335
SMILES:
CN1c2ccc(Oc3cccc(Br)c3)cc2C(=CS1(=O)=O)c1ccccc1C(O)=O |c:18|
Structure:
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