BDBM1939 Carboxamide-Containing 4-Hydroxy-2-pyrone analogue XX::[3-[[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl]methyl]phenyl]amino]-3-oxo-propyl]carbamic Acid tert-Butyl Ester::tert-butyl N-[2-({3-[(S)-cyclopropyl({4-hydroxy-2-oxo-6-[(2R)-1-phenylbutan-2-yl]-2H-pyran-3-yl})methyl]phenyl}carbamoyl)ethyl]carbamate

SMILES CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](C2CC2)c2cccc(NC(=O)CCNC(=O)OC(C)(C)C)c2)c(=O)o1

InChI Key InChIKey=KDBAWDLTLXRONJ-UHFFFAOYSA-N

Data  1 KI

  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 = 1939   

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

LigandPNGBDBM1939(tert-butyl N-[2-({3-[(S)-cyclopropyl({4-hydroxy-2-...)
Affinity DataKi:  41nM ΔG°:  -9.97kcal/molepH: 5.0 T: 2°CAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2004
Entry Details Article
PubMed