BDBM1105 (4R,5R,6R)-Tetrahydro-1,3-bis[(3-(N-hydroxycarboximidamide)phenyl)methyl]-5-hydroxy-4-(2-(3,4-difluorophenyl)ethyl)-6-(3,4-fluorophenylmethyl)-2(1H)-pyrimidinone::3-{[(4R,5R,6R)-6-[2-(3,4-difluorophenyl)ethyl]-4-[(3,4-difluorophenyl)methyl]-5-hydroxy-3-{[3-(N'-hydroxycarbamimidoyl)phenyl]methyl}-2-oxo-1,3-diazinan-1-yl]methyl}-N'-hydroxybenzene-1-carboximidamide::Tetrahydropyrimidinone deriv. 62

SMILES ONC(=N)c1cccc(CN2[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1

InChI Key InChIKey=JOOIRGLUJVFIDO-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 = 1105   

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

LigandPNGBDBM1105((4R,5R,6R)-Tetrahydro-1,3-bis[(3-(N-hydroxycarboxi...)
Affinity DataKi:  0.0100nM ΔG°:  -15.6kcal/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