BDBM50260292 (2S,3R)-2-{(S)-2-[(S)-5-Guanidino-2-((S)-2-mercapto-3-phenyl-propionylamino)-pentanoylamino]-propionylamino}-3-hydroxy-butyric acid::CHEMBL538911

SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](-[#8])=O

InChI Key InChIKey=JSRRMUKVIQEKPZ-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 = 50260292   

TargetBotulinum neurotoxin type A(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50260292((2S,3R)-2-{(S)-2-[(S)-5-Guanidino-2-((S)-2-mercapt...)
Affinity DataKi:  3.00E+4nMAssay Description:Inhibition of BoNT/A light chain metalloprotease activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed