BDBM13735 3-[(2R,5S)-5-benzyl-4-[(2S)-3-[(cyclopentylmethyl)(4-methoxybenzene)sulfonamido]-2-hydroxypropyl]-3-oxomorpholin-2-yl]propanamide::morpholinone-based inhibitor 29

SMILES COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CCC(N)=O)C1=O)CC1CCCC1

InChI Key InChIKey=JHFLECJGWVTYJX-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 = 13735   

TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM13735(3-[(2R,5S)-5-benzyl-4-[(2S)-3-[(cyclopentylmethyl)...)
Affinity DataKi:  49nM ΔG°:  -9.97kcal/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2007
Entry Details Article
PubMed