BDBM7015 (4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis[(3,4-dimethoxyphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(phenylmethyl)-4,7-bis((3,4-dimethoxyphenyl)methyl)-2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 21

SMILES COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)c(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1OC

InChI Key InChIKey=FSFMSQDLEGJAJG-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 = 7015   

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

LigandPNGBDBM7015((4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(phen...)
Affinity DataKi:  6.40nM ΔG°:  -11.6kcal/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 Depth
Date in BDB:
1/9/2006
Entry Details Article
PubMed