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Target
Genome polyprotein
Ligand
BDBM50486092
Substrate
n/a
Meas. Tech.
ChEMBL_885186 (CHEMBL2213720)
Ki
2.9±n/a nM
Citation
 Rudd, MT; McIntyre, CJ; Romano, JJ; Butcher, JW; Holloway, MK; Bush, K; Nguyen, KT; Gilbert, KF; Lyle, TA; Liverton, NJ; Wan, BL; Summa, V; Harper, S; Rowley, M; Vacca, JP; Carroll, SS; Burlein, C; DiMuzio, JM; Gates, A; Graham, DJ; Huang, Q; Ludmerer, SW; McClain, S; McHale, C; Stahlhut, M; Fandozzi, C; Taylor, A; Trainor, N; Olsen, DB; McCauley, JA Development of macrocyclic inhibitors of HCV NS3/4A protease with cyclic constrained P2-P4 linkers. Bioorg Med Chem Lett 22:7207-13 (2012) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Genome polyprotein
Type:
PROTEIN
Mol. Mass.:
74061.95
Organism:
Hepacivirus C
Description:
ChEMBL_118425
Residue:
694
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQAEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASPKGPIQMYTNVDKDLVGWPAPQGTRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVENLETTMRSPVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSILGIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIKGGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVATDALMTGFTGDFDTVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRYVAPGERPSGMFDSSVLCECYDTGCAWYELTPAETTVRLRSYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQTKQSGENLPYLVAYQATVCARAQALPPSWDQMWKCLTRLKPTLHGPTPLLYRLGAVQNEVTLTHPVTKYIMTCMSADLEVVTSTWVLVGGVLAALAAYCLSTGCVVIVGRVILSGKPAIIPDREVLYREFDEMEECSQHLPYIEQG
  
Inhibitor
Name:
BDBM50486092
Synonyms:
CHEMBL2203892
Type:
Small organic molecule
Emp. Form.:
C41H52N6O9S
Mol. Mass.:
804.951
SMILES:
[H][C@]12CCN(C1)C(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3cc1\C=C\CCCO2 |r,t:60|
Structure:
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