BDBM4232 (2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(5-methoxy-1H-indol-2-yl)formamido]butanediamide::(5-Methoxyindole-2-carbonyl)-Asn-(2S,3S)-AHPBA-[4(S)-chloro]Pro tert-butylamide::AHPBA 40a

SMILES COc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C

InChI Key InChIKey=DWTFQUWZXYJROX-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 = 4232   

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

LigandPNGBDBM4232((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Affinity DataKi:  21.5nM ΔG°:  -10.9kcal/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