BDBM7046 (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(4-methanesulfonylphenyl)methyl]-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phenylmethyl)-4,7-bis[[4-(methylsulfonyl)phenyl]methyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 34

SMILES CS(=O)(=O)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)S(C)(=O)=O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1

InChI Key InChIKey=KMUAFILYGKAKHD-WZJLIZBTSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 7046   

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

LigandPNGBDBM7046((4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(...)
Affinity DataKi:  2.5nM ΔG°:  -12.2kcal/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