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Target
Genome polyprotein
Ligand
BDBM50495943
Substrate
n/a
Meas. Tech.
ChEMBL_1291859 (CHEMBL3124059)
IC50
0.050000±n/a nM
Citation
 Shah, U; Jayne, C; Chackalamannil, S; Velázquez, F; Guo, Z; Buevich, A; Howe, JA; Chase, R; Soriano, A; Agrawal, S; Rudd, MT; McCauley, JA; Liverton, NJ; Romano, J; Bush, K; Coleman, PJ; Grisé-Bard, C; Brochu, MC; Charron, S; Aulakh, V; Bachand, B; Beaulieu, P; Zaghdane, H; Bhat, S; Han, Y; Vacca, JP; Davies, IW; Weber, AE; Venkatraman, S Novel Quinoline-Based P2-P4 Macrocyclic Derivatives As Pan-Genotypic HCV NS3/4a Protease Inhibitors. ACS Med Chem Lett 5:264-9 (2014) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
NS3 Protease
Type:
Protein
Mol. Mass.:
18999.15
Organism:
Hepatitis C Virus
Description:
ABC73367
Residue:
181
Sequence:
APITAYSQQTRGLLACIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVYHGAGSKTLAGPKGPVIQMYTNVDQDLVGWPAPPGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPVSYLKGSSGGPLLCPSGHAVGIFRAAVCTRGVAKAVDFIPVESMETTMRS
  
Inhibitor
Name:
BDBM50495943
Synonyms:
CHEMBL3349202
Type:
Small organic molecule
Emp. Form.:
C51H70N6O10S
Mol. Mass.:
959.201
SMILES:
[H][C@@]12C[C@@]1([H])OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1)Oc1nc3ccccc3c(O[C@@H]3C[C@]4([H])CC[C@]([H])(C3)N4CCOC)c1CCCCC2 |r,TLB:52:53:62:57.58|
Structure:
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