BDBM104109 3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino]- 1-(phenylmethyl)propyl]-benzamide (AF-78)

SMILES COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O

InChI Key InChIKey=SBQRBWXDIRCEEU-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 104109   

TargetHIV-1 protease(Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104109(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Affinity DataKi:  0.437nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetGag-Pol polyprotein [484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104109(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Affinity DataKi:  2.54nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetGag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104109(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Affinity DataKi:  5.89nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetGag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104109(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Affinity DataKi:  23.8nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed
TargetGag-Pol polyprotein [484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M](Human immunodeficiency virus)
Massachusetts Institute of Technology

LigandPNGBDBM104109(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Affinity DataKi:  42.9nMAssay Description:HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMed