BDBM17832 (2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]formamido}-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide::Hydroxyethylene Isostere-Based Compound, 14a

SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1

InChI Key InChIKey=YTEURAFEAFHROU-FLIXOAOSSA-N

Data  4 KI

PDB links: 1 PDB ID matches 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 4 hits for monomerid = 17832   

TargetDimer of Gag-Pol polyprotein [491-589,Q496K](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School

LigandPNGBDBM17832((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Affinity DataKi:  2.04nM ΔG°:  -12.0kcal/molepH: 4.7 T: 2°CAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School

LigandPNGBDBM17832((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Affinity DataKi:  13.9nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School

LigandPNGBDBM17832((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Affinity DataKi:  175nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School

LigandPNGBDBM17832((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...)
Affinity DataKi:  185nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair