BDBM1081 (4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::3-{[(4R,5R,6R)-4-benzyl-5-hydroxy-3-{[3-(N'-hydroxycarbamimidoyl)phenyl]methyl}-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}-N'-hydroxybenzene-1-carboximidamide::Cyclic Urea::Tetrahydropyrimidinone deriv. 24

SMILES ONC(=N)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1

InChI Key InChIKey=SMPFVGOGVVEABT-XWHIBYANSA-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 = 1081   

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

LigandPNGBDBM1081((4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamide oxime)m...)
Affinity DataKi:  0.0180nM ΔG°:  -15.2kcal/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 DepthDetails ArticlePubMed