BDBM50135444 CHEMBL338447::N-((S)-1-((S)-1-((2S,4R)-2-(((S)-1-oxobutan-2-yl)carbamoyl)-4-(benzyloxy)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-yl)pyrazine-2-carboxamide::Pyrazine-2-carboxylic acid ((S)-1-{(S)-1-[(2S,4R)-4-benzyloxy-2-((S)-1-formyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propyl)-amide

SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C=O

InChI Key InChIKey=UWADKHNEIODRRP-BILQSEOESA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135444   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50135444(CHEMBL338447 | N-((S)-1-((S)-1-((2S,4R)-2-(((S)-1-...)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed