BDBM104104 N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylpropyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-69)

SMILES c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5

InChI Key InChIKey=OLPAULVXKPQQPH-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 104104   

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

LigandPNGBDBM104104(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...)
Affinity DataKi:  0.0700nMAssay 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

LigandPNGBDBM104104(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...)
Affinity DataKi:  2.00nMAssay 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

LigandPNGBDBM104104(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...)
Affinity DataKi:  2.27nMAssay 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

LigandPNGBDBM104104(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...)
Affinity DataKi:  9.96nMAssay 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

LigandPNGBDBM104104(N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...)
Affinity DataKi:  19.2nMAssay 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