Target
Genome polyprotein
Ligand
BDBM55025
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
5414±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:
BDBM55025
Synonyms:
Benzoic acid N'-[1-(2-cyclohex-1-enyl-ethyl)-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide | MLS000331375 | N'-[(E)-[1-[2-(1-cyclohexenyl)ethyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzohydrazide | N'-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzohydrazide | N'-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]benzohydrazide | N'-[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzohydrazide | SMR000220836 | cid_5517062
Type:
Small organic molecule
Emp. Form.:
C20H22N4O3S
Mol. Mass.:
398.479
SMILES:
O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|
Structure:
Search PDB for entries with ligand similarity: