BDBM112658 (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-3-hydroxy-4-(N-((S)-2-methylbutyl)benzo[d]thiazole-6-sulfonamido)-1-phenylbutan-2-yl)carbamate (10e)

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)c1ccc2ncsc2c1

InChI Key InChIKey=COTBSCQKHDXTHH-RPEWIUDZSA-N

Data  4 KI

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 112658   

LigandPNGBDBM112658((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0120nM ΔG°:  -14.9kcal/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
TargetGag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,R541K,D544E,Q553K,L573M](Human immunodeficiency virus)
University of Massachusetts

LigandPNGBDBM112658((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0190nM ΔG°:  -14.6kcal/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
LigandPNGBDBM112658((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0250nM 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
LigandPNGBDBM112658((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...)
Affinity DataKi:  0.0410nM ΔG°:  -14.2kcal/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