BDBM104107 (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AF-68)

SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1

InChI Key InChIKey=SMFNBADPJMISMS-PSRPIYIESA-N

Data  5 KI  6 EC50

PDB links: 1 PDB ID matches 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 11 hits for monomerid = 104107   

TargetGag-Pol polyprotein [484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M](Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataKi:  0.0490nMAssay 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M](Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataKi:  0.144nMAssay 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 DepthDetails ArticlePubMed
TargetHIV-1 protease(Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataKi:  0.146nMAssay 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
TargetGag-Pol polyprotein [484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M](Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataKi:  0.819nMAssay 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 DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M](Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataKi:  1.03nMAssay 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 DepthDetails ArticlePubMed
TargetMDRC4(Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataEC50:  15.4nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHIV WT-C pol protein (wild-type clade C)(Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataEC50:  3nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q](Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataEC50:  1.60nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
TargetHIV WT-A pol protein (wild-type clade A)(Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataEC50:  2.40nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMDR1(Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataEC50:  15.1nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-892](Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104107((2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(...)
Affinity DataEC50:  3.5nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair