BDBM30 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 10

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O

InChI Key InChIKey=QFKPDQNHNPQKPI-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 = 30   

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

LigandChemical structure of BindingDB Monomer ID 30BDBM30((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3...)
Affinity DataKi:  1.80nM ΔG°:  -12.4kcal/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