BDBM9267 N-((1S)-1-{(1R)-2-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-1-hydroxyethyl}hept-6-enyl)-2-(but-3-enyloxy)-3-hydroxybenzamide::N-[(2R,3S)-1-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-2-hydroxynon-8-en-3-yl]-2-(but-3-en-1-yloxy)-3-hydroxybenzamide::acyclic inhibitor 32

SMILES CC(C)CN(C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCC=C)S(=O)(=O)c1ccc2OCOc2c1

InChI Key InChIKey=PKFVXTQKCHTVBB-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 = 9267   

TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
University of Illinois At Chicago

LigandPNGBDBM9267(N-((1S)-1-{(1R)-2-[(1,3-benzodioxol-5-ylsulfonyl)(...)
Affinity DataKi:  20nM ΔG°:  -10.5kcal/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2006
Entry Details Article
PubMed