BDBM7058 (4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis({[3-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methyl})-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phenylmethyl)-4,7-bis[3-(2,5-dimethylpyrolyl)methyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 46

SMILES Cc1ccc(C)n1-c1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(c3)-n3c(C)ccc3C)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1

InChI Key InChIKey=BKANMADPUXSPMK-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 = 7058   

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

LigandPNGBDBM7058((4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phe...)
Affinity DataKi:  160nMAssay 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