BDBM1095 (4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-6-(2-phenylethyl)-1,3-diazinan-2-one::(4R,5R,6R)-Tetrahydro-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenymethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 29

SMILES OCc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1

InChI Key InChIKey=KCKSQYQZBVKEHT-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 = 1095   

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

LigandPNGBDBM1095((4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis({[4-(hydroxy...)
Affinity DataKi:  2.5nM ΔG°:  -12.2kcal/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:
9/21/2004
Entry Details Article
PubMed