Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM40229
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
8623±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:
BDBM40229
Synonyms:
2-(5,6-Di-furan-2-yl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide | 2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-(2-methylphenyl)acetamide | 2-[[5,6-bis(2-furyl)-1,2,4-triazin-3-yl]thio]-N-(o-tolyl)acetamide | 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide | 2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide | MLS000556526 | SMR000147843 | cid_2941133
Type:
Small organic molecule
Emp. Form.:
C20H16N4O3S
Mol. Mass.:
392.431
SMILES:
Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Structure:
Search PDB for entries with ligand similarity: