BDBM54 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-hydroxyhexyl)-2-oxo-1,3-diazepan-1-yl]hexyl N-methylcarbamate::DMPC Cyclic Urea 34

SMILES CNC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O

InChI Key InChIKey=ZCPUINNVBUMJTM-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 = 54   

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

LigandPNGBDBM54(6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-h...)
Affinity DataKi:  5.20nM ΔG°:  -11.7kcal/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