BDBM27017 2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-[methyl(thiophene-2-)sulfonamido]butan-2-yl]carbamoyl}amino)-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-N-ethyl-2-oxoacetamide::ketoamide derived macrocyclic inhibitor, 41

SMILES CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c2cccs2)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C

InChI Key InChIKey=CYTYJWMCNNINSW-VZYPYRSISA-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 = 27017   

TargetGenome polyprotein(Hepatitis C virus (HCV genotype 1a, isolate H))
Schering-Plough Research Institute

LigandPNGBDBM27017(2-[(3S,13S,16S,17R,19S)-3-({[(2S)-3,3-dimethyl-1-[...)
Affinity DataKi:  10nM ΔG°:  -11.1kcal/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 DepthDetails ArticlePubMed