Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM55054
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
6239±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:
BDBM55054
Synonyms:
(4Z)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-(4-propan-2-ylphenyl)-1-pyridin-2-yl-pyrrolidine-2,3-dione | (4Z)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-p-cumenyl-1-(2-pyridyl)pyrrolidine-2,3-quinone | (4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(2-pyridinyl)pyrrolidine-2,3-dione | (4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione | 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-pyridin-2-yl-1,5-dihydro-2H-pyrrol-2-one | MLS001196813 | SMR000555944 | cid_23821935
Type:
Small organic molecule
Emp. Form.:
C26H24N2O4
Mol. Mass.:
428.4798
SMILES:
COc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccc(cc1)C(C)C
Structure:
Search PDB for entries with ligand similarity: