BDBM1943 Carboxamide-Containing 4-Hydroxy-2-pyrone analogue XXIV::[3-[[3-[Cyclopropyl[4-hydroxy-2-oxo-6-[1-(phenylmethyl)propyl]-2H-pyran-3-yl]methyl]phenyl]amino]-1(S)-[(1H-imidazol-4-yl)methyl]-2-oxoethyl]carbamic Acid tert-Butyl Ester::tert-butyl N-[(1S)-1-[(3-{cyclopropyl[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)-2H-pyran-3-yl]methyl}phenyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamate

SMILES CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)c(=O)o1

InChI Key InChIKey=ZNEZCXJJIUHKKH-ZFOVLNDVSA-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 = 1943   

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

LigandPNGBDBM1943(Carboxamide-Containing 4-Hydroxy-2-pyrone analogue...)
Affinity DataKi:  4nM ΔG°:  -11.3kcal/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
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