BDBM4689 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-{4-[2-(thiophen-2-yl)ethoxy]phenyl}butan-2-yl]carbamate::GW0385 analog 4

SMILES [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCCc2cccs2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1

InChI Key InChIKey=ALXGCKJFNKTTNG-MSUBEGKCSA-N

Data  4 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 4 hits for monomerid = 4689   

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

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0000130nM ΔG°:  -19.2kcal/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000220nM ΔG°:  -17.5kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00240nM ΔG°:  -16.1kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00390nM ΔG°:  -15.8kcal/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed