Target
Genome polyprotein
Ligand
BDBM55057
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
1721±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:
BDBM55057
Synonyms:
2-(benzylthio)-4-(3-methoxy-4-propoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile | 2-(benzylthio)-4-keto-6-(3-methoxy-4-propoxy-phenyl)-1H-pyrimidine-5-carbonitrile | 2-benzylsulfanyl-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile | 6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile | 6-(3-methoxy-4-propoxyphenyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile | MLS001200267 | SMR000563512 | cid_9123090
Type:
Small organic molecule
Emp. Form.:
C22H21N3O3S
Mol. Mass.:
407.485
SMILES:
CCCOc1ccc(cc1OC)-c1nc(SCc2ccccc2)[nH]c(=O)c1C#N
Structure:
Search PDB for entries with ligand similarity: