BDBM12483 (2S)-({N-[3-({[(5S,8S,10R)-5-cyclohexyl-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.17,10]docosa-1(21),17,19-trien-8-yl]carbonyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid N,N-dimethyl amide::3-{[(5S,8S,10R)-5-cyclohexyl-3,6-dioxo-11,16-dioxa-4,7-diazatricyclo[15.3.1.1^{7,10}]docosa-1(20),17(21),18-trien-8-yl]formamido}-N-({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)-2-oxohexanamide::Proline-Based Macrocycle 34

SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key InChIKey=TUNGZPBSCWHLFB-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 = 12483   

TargetGenome polyprotein(HCV)
Schering-Plough Research Institute

LigandPNGBDBM12483(3-{[(5S,8S,10R)-5-cyclohexyl-3,6-dioxo-11,16-dioxa...)
Affinity DataKi:  7nM ΔG°:  -11.3kcal/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:
12/12/2006
Entry Details Article
PubMed