Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM55045
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
8210±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:
BDBM55045
Synonyms:
1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-(3,5-dichloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-(3,5-dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea | 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-[3,5-bis(chloranyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea | MLS000849855 | N1-bicyclo[2.2.1]hept-5-en-2-yl-2-(3,5-dichloro-2-hydroxybenzylidene)hydrazine-1-carbothioamide | SMR000455873 | cid_5713435
Type:
Small organic molecule
Emp. Form.:
C15H15Cl2N3OS
Mol. Mass.:
356.27
SMILES:
[H]C12CC(NC(=S)NN=Cc3cc(Cl)cc(Cl)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
Structure:
Search PDB for entries with ligand similarity: