BDBM112656 (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-3-hydroxy-4-(4-(hydroxymethyl)-N-((S)-2-methylbutyl)phenylsulfonamido)-1-phenylbutan-2-yl)carbamate (10c)

SMILES CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(CO)cc1

InChI Key InChIKey=ALWBGUNCNDFMFE-QKULBLGOSA-N

Data  6 KI

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 112656   

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

LigandPNGBDBM112656((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.000500nM ΔG°:  -16.8kcal/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
LigandPNGBDBM112656((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.00400nM ΔG°:  -15.5kcal/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
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM112656((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing natura...More data for this Ligand-Target Pair
LigandPNGBDBM112656((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0130nM ΔG°:  -14.8kcal/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
LigandPNGBDBM112656((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0220nM ΔG°:  -14.5kcal/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
In DepthDetails ArticlePubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
University Of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM112656((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing n...More data for this Ligand-Target Pair