null

SMILES [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1

InChI Key InChIKey=CFXFLQMJJDCVNR-MSUBEGKCSA-N

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to 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 5 hits for monomerid = 4690   

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

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)copy SMILEScopy InChI
Affinity DataKi:  0.00000600nM ΔG°:  -19.7kcal/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 Article
BindingDB Entry DOI: 10.7270/Q25M63WJPubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)copy SMILEScopy InChI
Affinity DataKi:  0.00000600nMAssay Description:Displacement of [3H]GW0385 from HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8V1FPubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
GlaxoSmithKline

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)copy SMILEScopy InChI
Affinity DataKi:  0.000420nM ΔG°:  -17.2kcal/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 Article
BindingDB Entry DOI: 10.7270/Q25M63WJPubMed
LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)copy SMILEScopy InChI
Affinity DataKi:  0.00170nM ΔG°:  -16.3kcal/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 Article
BindingDB Entry DOI: 10.7270/Q25M63WJPubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
GlaxoSmithKline

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)copy SMILEScopy InChI
Affinity DataKi:  0.00260nM ΔG°:  -16.1kcal/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 Article
BindingDB Entry DOI: 10.7270/Q25M63WJPubMed