BDBM4230 (2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoxalin-2-ylformamido)butanediamide::(Quinoxaline-2-carbonyl)-Asn-(2S,3S)-AHPBA- [4(S)-chloro]Pro tert-butylamide::AHPBA 38a

SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1

InChI Key InChIKey=VYMSWHPMTVJOES-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 = 4230   

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

LigandPNGBDBM4230((Quinoxaline-2-carbonyl)-Asn-(2S,3S)-AHPBA- [4(S)-...)
Affinity DataKi:  4.70nM ΔG°:  -11.8kcal/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 Depth
Date in BDB:
5/4/2005
Entry Details Article
PubMed