BDBM1691 Cyclic Cyanoguanidine deriv. 8g::[4R-(4a,5a,6B,7B)]-[1,3-Bis(cyclopropylmethyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-ylidene]cyanamide::{[(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-ylidene]amino}carbonitrile

SMILES [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1

InChI Key InChIKey=FJUYSORXWLDIDJ-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 = 1691   

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

LigandPNGBDBM1691([4R-(4a,5a,6B,7B)]-[1,3-Bis(cyclopropylmethyl)hexa...)
Affinity DataKi:  22nM ΔG°:  -10.9kcal/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