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Target
Genome polyprotein
Ligand
BDBM52167
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
33503±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:
BDBM52167
Synonyms:
2-amino-4-[2-(4-fluorobenzyl)oxy-3-methoxy-phenyl]-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile | 2-amino-4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-7-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile | 2-amino-4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-7-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile | 2-amino-4-{2-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-7-(2-furyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile | 2-azanyl-4-[2-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]-7-(furan-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile | MLS000043818 | SMR000021029 | cid_3241719
Type:
Small organic molecule
Emp. Form.:
C28H23FN2O5
Mol. Mass.:
486.491
SMILES:
COc1cccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C3)c2ccco2)c1OCc1ccc(F)cc1 |c:14|
Structure:
Search PDB for entries with ligand similarity: