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Target
Genome polyprotein
Ligand
BDBM50037451
Substrate
n/a
Meas. Tech.
ChEMBL_1437305 (CHEMBL3384808)
Ki
80.0±n/a nM
Citation
 Lampa, A; Alogheli, H; Ehrenberg, AE; Åkerblom, E; Svensson, R; Artursson, P; Danielson, UH; Karlén, A; Sandström, A Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles. Bioorg Med Chem 22:6595-615 (2015) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Nonstructural protein NS3-4A
Type:
PROTEIN
Mol. Mass.:
71633.49
Organism:
Hepatitis C virus
Description:
ChEMBL_109716
Residue:
674
Sequence:
SPITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVFHGAGSKTLAGPKGPITQMYTNVDQDLVGWMAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFVPVESMETTMRSPVFTDNSSPPAVPQTFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAGTDPNIRTGVRTITTGAPITYSTYGKFLADGGCSGGAYDIICDECHSTDSTTLGIGTVLDQAETAGARLVVLATATPPGSTVPHPNIEEVALSTTGEIPFYGKAIPIETIKGGRHLIFCHSKKKCDELAGKLSALGLNAVAYYRGLDVSVIPTSGDVVVVATDALMTGYTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTVPQDAVSRSQRRGRTGRGRGIYRFVTPGERPSGMFDSSVLCECYDAGCAWYELTPAETTRLRAYLNTPGLPVCQDHLEFWEGVFTGLTIDAHFLSQTKQAGDNFPYLVAYQATVCARAQAPPPSWDQMWKCLRLKPTLHGPTPLLYRLGAVQNEITLTHPITKIMTCMSADLEVVTSTWVLVGGVLAALAAYCLTTGSVVIVGRIILSGRPAVPDREVLYEFDEMEEC
  
Inhibitor
Name:
BDBM50037451
Synonyms:
CHEMBL3356714
Type:
Small organic molecule
Emp. Form.:
C43H50N6O9S
Mol. Mass.:
826.957
SMILES:
COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCC\C=C\CCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r,t:23|
Structure:
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