BDBM9268 (2R)-N-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-2-[(10S)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]-N-(2-methylpropyl)ethane-1-sulfonamido::Cycloamide 33::N-{(2R)-2-hydroxy-2-[(10S)-16-hydroxy-12-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,11-benzoxazacyclotetradecin-10-yl]ethyl}-N-isobutyl-1,3-benzodioxole-5-sulfonamide

SMILES CC(C)CN(C[C@@H](O)[C@@H]1CCCCCCCCOc2c(O)cccc2C(=O)N1)S(=O)(=O)c1ccc2OCOc2c1

InChI Key InChIKey=IGEOPGFVJYMVIT-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 = 9268   

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

LigandPNGBDBM9268((2R)-N-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-2-[(10S...)
Affinity DataKi:  3nM ΔG°:  -11.6kcal/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