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Target
Genome polyprotein [1027-1711]
Ligand
BDBM236570
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
Ki
17±n/a nM
Comments
extracted
Citation
 Raboisson, PJ; De Kock, HA; McGowan, DC; Hu, L; Tahri, A; Vendeville, SM; Van De Vreken, W Macrocyclic inhibitors of hepatitis C virus US Patent  US9365582 Publication Date 6/14/2016 
Target
Name:
Genome polyprotein [1027-1711]
Synonyms:
NS3-NS4A Protease | NS3/4A protease | POLG_HCV77
Type:
n/a
Mol. Mass.:
72913.15
Organism:
Hepatitis C virus genotype 1a (strain H77) (HCV)
Description:
amino acids 1027 to 1711
Residue:
685
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQTYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPTGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRSPVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAKGYKVLVLNPSVAATLGFGAYMSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADAGCSGGAYDIIICDECHSTDATSISGIGTVLDQAETAGARLVVLATATPPGSVTVSHPNIEEVALSTTGEIPFYGKAIPLEVIKGGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVSTDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVAPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLGFWEGVFTGLTHIDAHFLSQTKQSGENFPYLVAYQATVCARAQAPPPSWDQMRKCLIRLKPTLHGPTPLLYRLGAVQNEVTLTHPITKYIMTCMSADLEVVTSTWVLVGGVLAALAAYCLSTGCVVIVGRIVLSGKPAIIPDREVLYQEFDEMEEC
  
Inhibitor
Name:
BDBM236570
Synonyms:
US9365582, 12
Type:
Small organic molecule
Emp. Form.:
C30H37N3O6
Mol. Mass.:
535.6313
SMILES:
CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(C)c2n1 |r,c:21|
Structure:
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