BDBM4229 AHPBA 37a::Z-Asn.(2S,3S)-AHPBA.[3(S)-chloro]Pro tert-butylamide::benzyl N-[(1S)-1-{[(2S,3S)-4-[(2R,3S)-2-(tert-butylcarbamoyl)-3-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate

SMILES CC(C)(C)NC(=O)[C@@H]1[C@@H](Cl)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1

InChI Key InChIKey=VTBRIMWOGJOKFB-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 = 4229   

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

LigandPNGBDBM4229(Z-Asn.(2S,3S)-AHPBA.[3(S)-chloro]Pro tert-butylami...)
Affinity DataKi:  14.5nM ΔG°:  -11.1kcal/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 Depth
Date in BDB:
5/4/2005
Entry Details Article
PubMed