BDBM27071 (1R,2S,5S)-3-[(2S)-2-({[(2S)-1-[methane(methyl)sulfonamido]-3,3-dimethylbutan-2-yl]carbamoyl}amino)-3,3-dimethylbutanoyl]-6,6-dimethyl-N-[(1R)-1-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^{2,6}]decan-4-yl]propyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide::boronic acid derivative, 13

SMILES CC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

InChI Key InChIKey=YXXNZUMAAPQTCS-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 27071   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27071((1R,2S,5S)-3-[(2S)-2-({[(2S)-1-[methane(methyl)sul...)
Affinity DataKi:  34nM ΔG°:  -10.4kcal/molepH: 6.5 T: 2°CAssay Description:Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2009
Entry Details Article
PubMed