BDBM4220 AHPBA 28a::Z-Asn-(2S,3S)-AHPBA.[4(S)-bromo]Pro tert-butylamide::benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-4-bromo-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate

SMILES CC(C)(C)NC(=O)[C@@H]1CC(Br)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1

InChI Key InChIKey=MHSUGKZHNFWIBK-RDZHBEFDSA-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 = 4220   

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

LigandPNGBDBM4220(AHPBA 28a | Z-Asn-(2S,3S)-AHPBA.[4(S)-bromo]Pro te...)
Affinity DataKi:  22.5nM ΔG°:  -10.8kcal/molepH: 4.7 T: 2°CAssay Description:The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed