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Target
Genome polyprotein
Ligand
BDBM55052
Substrate
n/a
Meas. Tech.
Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3).
IC50
5771±n/a nM
Citation
 PubChem, PC Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3). PubChem Bioassay (2009)[AID] 
Target
Name:
Genome polyprotein
Synonyms:
NS3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
67067.41
Organism:
Hepatitis C virus
Description:
gi_125541954
Residue:
631
Sequence:
APITAYAQQTRGLLGCIITGLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMRSPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGSAYDIIICDECHSTDATSILGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIKGGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEITLTHPITKYIMTCMSADLEVVT
  
Inhibitor
Name:
BDBM55052
Synonyms:
(4E)-5-(2-fluorophenyl)-4-[(3-methyl-4-propoxy-phenyl)-oxidanyl-methylidene]-1-pyridin-2-yl-pyrrolidine-2,3-dione | (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-methyl-4-propoxy-phenyl)methylene]-1-(2-pyridyl)pyrrolidine-2,3-quinone | (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-methyl-4-propoxyphenyl)methylidene]-1-(2-pyridinyl)pyrrolidine-2,3-dione | (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-methyl-4-propoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione | 5-(2-fluorophenyl)-3-hydroxy-4-(3-methyl-4-propoxybenzoyl)-1-pyridin-2-yl-1,5-dihydro-2H-pyrrol-2-one | MLS001196677 | SMR000556023 | cid_6060654
Type:
Small organic molecule
Emp. Form.:
C26H23FN2O4
Mol. Mass.:
446.4702
SMILES:
CCCOc1ccc(cc1C)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccccc1F
Structure:
Search PDB for entries with ligand similarity: