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TargetNS3
LigandBDBM55068
Substrate/Competitorn/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 3259±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]
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
NS3
Name:NS3
Synonyms:n/a
Type:Enzyme Catalytic Domain
Mol. Mass.:67067.41
Organism:Hepatitis C virus
Description:gi_125541954
Residue:631
Sequence:
APITAYAQQTRGLLGCIITGLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASSKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRG
DGRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVEGLETTMR
SPVFSDNSSPPAVPQSYQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGA
YMSKAHGIDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGSAYDIIICDECHSTDATSI
LGIGTVLDQAETAGARLTVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIK
GGRHLIFCHSKKKCDELAAKLVALGVNAVAYYRGLDVSVIPASGDVVVVATDALMTGFTG
DFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVTPGE
RPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLT
HIDAHFLSQTKQSGENLPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLY
RLGAVQNEITLTHPITKYIMTCMSADLEVVT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM55068
NameBDBM55068
Synonyms:2-(4-butoxyphenyl)-1-(2-furanylmethyl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2H-pyrrol-5-one | 2-(4-butoxyphenyl)-1-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2H-pyrrol-5-one | 2-(4-butoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one | 5-(4-butoxyphenyl)-1-(2-furfuryl)-3-hydroxy-4-(5-methyl-2-furoyl)-3-pyrrolin-2-one | 5-(4-butoxyphenyl)-1-(2-furylmethyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1,5-dihydro-2H-pyrrol-2-one | MLS001147316 | SMR000672577 | cid_3291242
TypeSmall organic molecule
Emp. Form.C25H25NO6
Mol. Mass.435.4691
SMILESCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
Structure
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n/a