BDBM7027 (4R,5S,6S,7R)-4,7-bis(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-bis[(3-acetyl-4-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(3-acetyl-4-fluorobenzyl)-4,7-bis((3,4-(ethylenedioxy)phenyl)methyl)2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 29

SMILES CC(=O)c1cc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3ccc(F)c(c3)C(C)=O)C2=O)ccc1F

InChI Key InChIKey=YHKWCKXVLPYUKQ-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 = 7027   

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

LigandPNGBDBM7027((4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(3-ac...)
Affinity DataKi:  0.640nM ΔG°:  -13.0kcal/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:
1/9/2006
Entry Details Article
PubMed