BDBM1687 Cyclic Cyanoguanidine deriv. 8c::[4R-(4a,5a,6B,7B)]-[Hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-dipropyl-2H-1,3-diazepin-2-ylidene]cyanamide::{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-ylidene]amino}carbonitrile

SMILES [#6]-[#6]-[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-[#6])\[#6]-1=[#7]\C#N

InChI Key InChIKey=UCNWEAUMNVVDTE-UHFFFAOYSA-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 = 1687   

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

LigandPNGBDBM1687({[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dip...)
Affinity DataKi:  14nM ΔG°:  -11.1kcal/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:
10/19/2004
Entry Details Article
PubMed