BDBM536 (3R,5S)-5-methyl-1,1-dioxo--thiolan-3-yl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Isoquinoline furanyl urethane analog::N-tert-Butyldecahydro-2-[2(R)-hydroxy-4-pheny1-3(S)-[[[[5 (S)-methyl-(3 R)-l ,l -dioxotetrahydrothiophene-3 -yl]-oxy]carbonyl]amino]butyl]-(4aS,8a5)-isoquinoline-3(S)-carboxamide::Sulfone deriv. 30

SMILES [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C[C@H](C)S(=O)(=O)C1)C2)C(=O)NC(C)(C)C

InChI Key InChIKey=VZLVYEBEUCOLCO-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 536   

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

LigandPNGBDBM536(Isoquinoline furanyl urethane analog | (3R,5S)-5-m...)
Affinity DataIC50: 1.60E+3nMpH: 5.5 T: 2°CAssay Description:The IC50 values for the compounds were determined using purified HIV-1 Protease. Inhibition of the cleavage of the peptide H-Val-Ser-Gln-Asn-(L-beta-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2004
Entry Details Article
PubMed