BDBM7023 (4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(cyclopropylmethyl)4,7-bis((3,4-(ethylenedioxy)phenyl)methyl)-2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 25

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccc2OCCOc2c1

InChI Key InChIKey=TVPZOFNHBJUMNP-PEMRLZPOSA-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 = 7023   

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

LigandPNGBDBM7023((4R,5S,6S,7R)-1,3-bis(cyclopropylmethyl)-4,7-bis(2...)
Affinity DataKi:  0.270nM ΔG°:  -13.6kcal/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