BDBM539 (2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-[(2S,3R)-4-[(3S,4aS,7aS)-3-(tert-butylcarbamoyl)-octahydro-1H-cyclopenta[c]pyridin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::Isoquinoline furanyl urethane analog::sulfone deriv. 33

SMILES [H][C@]12CCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C

InChI Key InChIKey=MTBIKTXGJMGCBP-XTXCQKKVSA-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 = 539   

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

LigandPNGBDBM539((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...)
Affinity DataIC50:  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 DepthDetails ArticlePubMed