BDBM4233 (1-Methylindole- 3 -carbonyl)- Asn - (2S,3S)-AHPBA- [4(S)-chloro]Pro tert-butylamide::(2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)-4-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(1-methyl-1H-indol-3-yl)formamido]butanediamide::AHPBA 41a

SMILES Cn1cc(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c2ccccc12

InChI Key InChIKey=SWZTYQLPXDYCAL-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 = 4233   

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

LigandPNGBDBM4233((1-Methylindole- 3 -carbonyl)- Asn - (2S,3S)-AHPBA...)
Affinity DataKi:  20nM 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