Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM61949
Substrate
n/a
Meas. Tech.
EMSA
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
1.2e+4± 6e+2 nM
Comments
extracted
Citation
 Mukherjee, S; Weiner, WS; Schroeder, CE; Simpson, DS; Hanson, AM; Sweeney, NL; Marvin, RK; Ndjomou, J; Kolli, R; Isailovic, D; Schoenen, FJ; Frick, DN Ebselen Inhibits Hepatitis C Virus NS3 Helicase Binding to Nucleic Acid and Prevents Viral Replication ACS Chem Biol 9:2393-2403 (2014) [PubMed]  Article 
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:
BDBM61949
Synonyms:
KSC-4-295 | KUC105342N | N-(3-bromophenyl)-2-(3-keto-1,2-benzothiazol-2-yl)acetamide | N-(3-bromophenyl)-2-(3-keto-1,2-benzothiazol-2-yl)acetamide (11) | N-(3-bromophenyl)-2-(3-oxidanylidene-1,2-benzothiazol-2-yl)ethanamide | N-(3-bromophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide | cid_45105114
Type:
Small organic molecule
Emp. Form.:
C15H11BrN2O2S
Mol. Mass.:
363.229
SMILES:
Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
Structure:
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