BDBM104108 N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-77)

SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)CC1CCCCC1

InChI Key InChIKey=SYWUYTFGNQDWGW-XZWHSSHBSA-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 = 104108   

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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataKi:  0.490nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataKi:  0.546nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataKi:  2.04nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataKi:  2.47nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataKi:  3.40nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataEC50:  106nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataEC50:  65.7nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataEC50:  22.4nMAssay 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
TargetHIV WT-A pol protein (wild-type clade A)(Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataEC50:  38.4nMAssay 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
TargetMDR1(Human immunodeficiency virus)
Massachusetts Institute Of Technology

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataEC50:  86.9nMAssay 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

LigandPNGBDBM104108(N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...)
Affinity DataEC50:  47.3nMAssay 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