Target
Genome polyprotein
Ligand
BDBM55055
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
4443±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:
BDBM55055
Synonyms:
2-methylpropyl 4-[[2-methoxy-5-[[(3,4,5-trihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methoxy]benzoate | 2-methylpropyl 4-[[2-methoxy-5-[[[3,4,5-tris(oxidanyl)phenyl]carbonylhydrazinylidene]methyl]phenyl]methoxy]benzoate | 4-[5-[(galloylhydrazono)methyl]-2-methoxy-benzyl]oxybenzoic acid isobutyl ester | 4-[[2-methoxy-5-[[[oxo-(3,4,5-trihydroxyphenyl)methyl]hydrazinylidene]methyl]phenyl]methoxy]benzoic acid 2-methylpropyl ester | MLS001201182 | SMR000564100 | cid_4675220 | isobutyl 4-[(2-methoxy-5-{(Z)-[(3,4,5-trihydroxybenzoyl)hydrazono]methyl}benzyl)oxy]benzoate
Type:
Small organic molecule
Emp. Form.:
C27H28N2O8
Mol. Mass.:
508.5198
SMILES:
COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(cc1)C(=O)OCC(C)C
Structure:
Search PDB for entries with ligand similarity: