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Target
Genome polyprotein
Ligand
BDBM50084685
Substrate
n/a
Meas. Tech.
ChEMBL_1869979 (CHEMBL4371146)
Ki
40±n/a nM
Citation
 Meanwell, NA Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design. J Med Chem 61:5822-5880 (2018) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Protease NS3/Non-structural protein 4A (NS3/NS4A) | Protease NS3/Non-structural protein 4A (NS3/NS4A) (D168V)
Type:
Enzyme
Mol. Mass.:
19121.30
Organism:
Hepatitis C virus genotype 1b (isolate Con1) (HCV)
Description:
Q91RS4
Residue:
181
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRS
  
Inhibitor
Name:
BDBM50084685
Synonyms:
4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3-carboxy-1-[1-(1-carboxy-2-mercapto-ethylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-propylcarbamoyl}-2,2-diphenyl-ethylcarbamoyl)-butyric acid | AcAsp-Glu-Dif-Glu-Cha-Cys | CHEMBL417559
Type:
Small organic molecule
Emp. Form.:
C43H56N6O14S
Mol. Mass.:
913.002
SMILES:
CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O
Structure:
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