Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM55077
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
4982±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:
BDBM55077
Synonyms:
3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one | 3-(1-benzofuran-2-ylcarbonyl)-2-(3,4-dimethoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-4-oxidanyl-2H-pyrrol-5-one | 3-[2-benzofuranyl(oxo)methyl]-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(5-methyl-3-isoxazolyl)-2H-pyrrol-5-one | 4-(benzofuran-2-carbonyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-3-pyrrolin-2-one | MLS001142996 | SMR000647544 | cid_3765596
Type:
Small organic molecule
Emp. Form.:
C25H20N2O7
Mol. Mass.:
460.4355
SMILES:
COc1ccc(cc1OC)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
Structure:
Search PDB for entries with ligand similarity: