BDBM309 (3R)-1,1-dioxo--thiolan-3-yl N-[(2R,3R)-4-[(3aR,7aS)-6-(tert-butylcarbamoyl)-octahydrothieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-(phenylsulfanyl)butan-2-yl]carbamate::Thienopyridine thienyl urethane deriv. 4::hydroxyethylamine isostere::hydroxyethylene isostere

SMILES [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)C1)C2)C(=O)NC(C)(C)C

InChI Key InChIKey=DMVZKUWZKVVEEN-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 = 309   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Eli Lilly

LigandPNGBDBM309(hydroxyethylene isostere | (3R)-1,1-dioxo--thiolan...)
Affinity DataIC50: 2nMpH: 5.5 T: 2°CAssay Description:The assay involves the use of a HIV-1 protease peptide substrate which has been modified to contain a biotin moiety on one side and a fluorescent rep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2004
Entry Details Article