BDBM13926 (2R,3aR,6aS)-octahydropentalen-2-yl N-[(2S,3R)-3-hydroxy-4-{[4-(hydroxymethyl)benzene](2-methylpropyl)sulfonamido}-1-phenylbutan-2-yl]carbamate::hexahydrocyclopenta[b]furanyl urethane analog 4

SMILES [H][C@]1(C[C@]2([H])CCC[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1

InChI Key InChIKey=KAIGECVMSJMEED-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 = 13926   

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

LigandPNGBDBM13926((2R,3aR,6aS)-octahydropentalen-2-yl N-[(2S,3R)-3-h...)
Affinity DataKi:  5.30nM ΔG°:  -11.3kcal/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2007
Entry Details Article
PubMed