BDBM112662 (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(N-(2-ethylbutyl)benzo[d][1,3]dioxole-5-sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate (11d)

SMILES CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2OCOc2c1

InChI Key InChIKey=ZLBAIBYBEYCDIE-KTJDEMTHSA-N

Data  4 KI

PDB links: 3 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 112662   

TargetGag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,R541K,D544E,Q553K,L573M](Human immunodeficiency virus)
University Of Massachusetts

LigandPNGBDBM112662((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.000800nM ΔG°:  -16.5kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
LigandPNGBDBM112662((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.00600nM ΔG°:  -15.3kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
LigandPNGBDBM112662((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0340nM ΔG°:  -14.3kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM112662((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.104nM ΔG°:  -13.6kcal/molepH: 4.7 T: 2°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair