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Target
Genome polyprotein
Ligand
BDBM12311
Substrate
n/a
Meas. Tech.
ChEMBL_1437305 (CHEMBL3384808)
Ki
14±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:
BDBM12311
Synonyms:
(1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide | 3-{[(1R,2S,5S)-3-[(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-4-cyclobutyl-2-oxobutanamide | BOCEPREVIR | SCH 503034 | acs.jmedchem.1c00409_ST.355
Type:
Small organic molecule
Emp. Form.:
C27H45N5O5
Mol. Mass.:
519.6767
SMILES:
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: