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TargetGenome polyprotein
LigandBDBM50486097
Substrate/Competitorn/a
Meas. Tech.ChEMBL_885185
Ki 40±n/a nM
Citation Rudd, MTMcIntyre, CJRomano, JJButcher, JWHolloway, MKBush, KNguyen, KTGilbert, KFLyle, TALiverton, NJWan, BLSumma, VHarper, SRowley, MVacca, JPCarroll, SSBurlein, CDiMuzio, JMGates, AGraham, DJHuang, QLudmerer, SWMcClain, SMcHale, CStahlhut, MFandozzi, CTaylor, ATrainor, NOlsen, DBMcCauley, JA Development of macrocyclic inhibitors of HCV NS3/4A protease with cyclic constrained P2-P4 linkers. Bioorg Med Chem Lett22:7207-13 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Genome polyprotein
Name:Genome polyprotein
Synonyms:Genome polyprotein
Type:PROTEIN
Mol. Mass.:74061.95
Organism:Hepacivirus C
Description:ChEMBL_118425
Residue:694
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQAEGEVQIVSTAAQTFLATCINGVCWTVYHGAG
TRTIASPKGPIQMYTNVDKDLVGWPAPQGTRSLTPCTCGSSDLYLVTRHADVIPVRRRGD
SRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVENLETTMRS
PVFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAY
MSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSIL
GIGTVLDQAETAGARLVVLATATPPGSVTVPHPNIEEVALSTTGEIPFYGKAIPLEAIKG
GRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVATDALMTGFTGD
FDTVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRYVAPGER
PSGMFDSSVLCECYDTGCAWYELTPAETTVRLRSYMNTPGLPVCQDHLEFWEGVFTGLTH
IDAHFLSQTKQSGENLPYLVAYQATVCARAQALPPSWDQMWKCLTRLKPTLHGPTPLLYR
LGAVQNEVTLTHPVTKYIMTCMSADLEVVTSTWVLVGGVLAALAAYCLSTGCVVIVGRVI
LSGKPAIIPDREVLYREFDEMEECSQHLPYIEQG
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50486097
NameBDBM50486097
Synonyms:CHEMBL2203875
TypeSmall organic molecule
Emp. Form.C43H55N5O10S
Mol. Mass.833.989
SMILES[H][C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)O[C@]1([H])CCC[C@@]1([H])C\C=C\c1cc3c(O2)cc(OCC)nc3cc1OC)C1CCCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r,t:23|
Structure
n/a