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Target
Genome polyprotein
Ligand
BDBM50485492
Substrate
n/a
Meas. Tech.
ChEMBL_1291855 (CHEMBL3124055)
IC50
0.140000±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:
BDBM50485492
Synonyms:
Grazoprevir | Grazoprevir monohydrate | MK-5172 | MK-5172 ANHYDROUS | MK-5172 MONOHYDRATE
Type:
Small organic molecule
Emp. Form.:
C38H50N6O9S
Mol. Mass.:
766.903
SMILES:
[H][C@@]12C[C@@]1([H])OC(=O)N[C@H](C(=O)N1C[C@@]([H])(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nc3cc(OC)ccc3nc1CCCCC2)C(C)(C)C |r|
Structure:
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