BDBM7079 (4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-4,7-bis(2-methylpropyl)-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-[[4-(hydroxymethyl)phenyl]methyl]-4,7-diisobutyl-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 69

SMILES CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(Cc2ccc(CO)cc2)C(=O)N1Cc1ccc(CO)cc1

InChI Key InChIKey=YSNCNINOHAXGEF-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 = 7079   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM7079((4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxyme...)
Affinity DataKi:  38nM ΔG°:  -10.5kcal/molepH: 5.5 T: 2°CAssay Description:Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2006
Entry Details Article
PubMed