Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM55041
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
17261±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:
BDBM55041
Synonyms:
(5Z)-5-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone | (5Z)-5-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one | (5Z)-5-[(2E,4E)-5-anilinopenta-2,4-dienylidene]-3-benzyl-2-thioxo-thiazolidin-4-one | (5Z)-5-[(2E,4E)-5-phenylazanylpenta-2,4-dienylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 3-Benzyl-5-[(2E,4E)-5-phenylamino-penta-2,4-dien-(Z)-ylidene]-2-thioxo-thiazolidin-4-one | MLS001030173 | SMR000426766 | cid_5568923
Type:
Small organic molecule
Emp. Form.:
C21H18N2OS2
Mol. Mass.:
378.51
SMILES:
Oc1c(C=CC=CC=Nc2ccccc2)sc(=S)n1Cc1ccccc1 |w:8.8,3.2,5.4|
Structure:
Search PDB for entries with ligand similarity: