BDBM1077 (4S,5S,6S)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxymethyl)phenyl]methyl})-6-(2-phenylethyl)-1,3-diazinan-2-one::(4S,5S,6S)-Tetrahydro-1,3-bis[[3-(hydroxymethyl)phenyl]methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::Tetrahydropyrimidinone deriv. 35

SMILES OCc1cccc(CN2[C@@H](CCc3ccccc3)[C@H](O)[C@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1

InChI Key InChIKey=ZCQKFPOPDUPHBO-AFEGWXKPSA-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 = 1077   

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

LigandPNGBDBM1077((4S,5S,6S)-4-benzyl-5-hydroxy-1,3-bis({[3-(hydroxy...)
Affinity DataKi:  550nM ΔG°:  -8.88kcal/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