BDBM871 (2S)-N-[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(propan-2-yl)-2,5-dioxa-8,11,14-triazabicyclo[14.2.2]icosa-1(18),16,19-trien-13-yl]-1-hydroxy-3-phenylpropan-2-yl]-3,3-dimethyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}butanamide::1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 33

SMILES CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CSc1nncn1C)C(C)(C)C

InChI Key InChIKey=FSQSJCNROUMWQT-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 = 871   

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

LigandPNGBDBM871((2S)-N-[(1S,2S)-1-[(10R,13R)-9,12-dioxo-10-(propan...)
Affinity DataKi:  11.1nM ΔG°:  -11.3kcal/molepH: 6.25 T: 2°CAssay Description:Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2004
Entry Details Article
PubMed