BDBM1032 Hydroxyethylene dipeptide isostere 24::N-[2(R)-Hydroxy-1( S)-indanyl]-5(S)-[[(1,1-dimethylethoxy)carbonyl]amino]-4( S)-hydroxy-6-phenyl-2(R)-(3-(4-hydroxyphenyl)prop-2-en-l-yl)hexanamide::tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-5-[(2E)-3-(4-hydroxyphenyl)prop-2-en-1-yl]-1-phenylpentan-2-yl]carbamate

SMILES [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccc(O)cc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12

InChI Key InChIKey=CEJZVKZLVAQAHB-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1032   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM1032(N-[2(R)-Hydroxy-1( S)-indanyl]-5(S)-[[(1,1-dimethy...)
Affinity DataIC50: 0.170nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/13/2004
Entry Details Article
PubMed