BDBM798 (2R)-2-[(7S,10S,13S)-7-amino-10-butyl-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]-N-(4-aminophenyl)-2-hydroxy-N-(3-methylbutyl)ethane-1-sulfonamido::Macrocycle-containing Compound 9d

SMILES CCCC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2

InChI Key InChIKey=ICLGGNKOSYUHKP-XHPANXIASA-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 = 798   

TargetDimer of Gag-Pol polyprotein [491-589,Q7K,L33I,C67B,C95B](Human immunodeficiency virus type 1)
University of Queensland

LigandPNGBDBM798((2R)-2-[(7S,10S,13S)-7-amino-10-butyl-8,11-dioxo-2...)
Affinity DataKi:  0.310nM ΔG°:  -13.5kcal/molepH: 6.5 T: 2°CAssay Description:Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed