Target
Genome polyprotein
Ligand
BDBM53358
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
4872±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:
BDBM53358
Synonyms:
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylsulfanylphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one | 3-(furan-2-ylcarbonyl)-2-(4-methylsulfanylphenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxidanyl-2H-pyrrol-5-one | 3-[2-furanyl(oxo)methyl]-4-hydroxy-2-[4-(methylthio)phenyl]-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one | 4-(2-furoyl)-3-hydroxy-5-[4-(methylthio)phenyl]-1-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolin-2-one | MLS001140617 | SMR000650457 | cid_4905842
Type:
Small organic molecule
Emp. Form.:
C19H15N3O4S3
Mol. Mass.:
445.535
SMILES:
CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(SC)cc1
Structure:
Search PDB for entries with ligand similarity: