BDBM133 6-[(4R,5S,6S,7R)-3-(6-aminiumylhexyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]hexan-1-aminium dichloride::DMPC Cyclic Urea 113

SMILES [NH3+]CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC[NH3+])C1=O

InChI Key InChIKey=VZUHWGBQQIOAGX-UHFFFAOYSA-P

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 = 133   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM133(6-[(4R,5S,6S,7R)-3-(6-aminiumylhexyl)-4,7-dibenzyl...)
Affinity DataKi:  2.20E+3nM ΔG°:  -8.02kcal/molepH: 5.5 T: 2°CAssay Description:Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2001
Entry Details Article
PubMed