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Target
Genome polyprotein
Ligand
BDBM50037465
Substrate
n/a
Meas. Tech.
ChEMBL_1437305 (CHEMBL3384808)
Ki
2400±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:
BDBM50037465
Synonyms:
CHEMBL3356710
Type:
Small organic molecule
Emp. Form.:
C39H50N6O8S
Mol. Mass.:
762.915
SMILES:
CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(\C=C\CCCS(=O)(=O)NC1=O)nc(n3)-c1ccccc1)cc2 |r,t:32|
Structure:
Search PDB for entries with ligand similarity: