BDBM27068 2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-1-{2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl}-3,3-dimethylbutan-2-yl]carbamoyl}amino)-4,18,18-trimethyl-2,15-dioxo-5-oxa-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-2-oxo-N-(prop-2-en-1-yl)acetamide::Macrocyclic Peptidomimetic, 36

SMILES C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)C2CCC(C2)C1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C

InChI Key InChIKey=BHJDSPOKENITPM-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 = 27068   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM27068(2-[(3S,4S,13S,16S,17R,19S)-3-({[(2S)-1-{2,4-dioxo-...)
Affinity DataKi:  3nM ΔG°:  -11.8kcal/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