Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM47551
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
7797±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:
BDBM47551
Synonyms:
1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-dibromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | 1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea | 1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | 1-[(5S)-5-bicyclo[2.2.1]hept-2-enyl]-3-[[(E)-[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea | MLS000849875 | N1-bicyclo[2.2.1]hept-5-en-2-yl-2-(3,5-dibromo-2-hydroxybenzylidene)hydrazine-1-carbothioamide | SMR000455893 | cid_6708487
Type:
Small organic molecule
Emp. Form.:
C15H15Br2N3OS
Mol. Mass.:
445.172
SMILES:
[H]C12C[C@H](NC(=S)NN=Cc3cc(Br)cc(Br)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: