BDBM50260293 (S)-6-amino-2-((2S,3R)-2-((S)-2-((S)-5-guanidino-2-((S)-2-mercapto-3-phenylpropanamido)pentanamido)propanamido)-3-hydroxybutanamido)hexanoic acid::CHEMBL507218

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](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O

InChI Key InChIKey=IQJHWFNVWXDGHA-DPECMYTMSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50260293   

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

Curated by ChEMBL
LigandPNGBDBM50260293((S)-6-amino-2-((2S,3R)-2-((S)-2-((S)-5-guanidino-2...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of BoNT/A light chain metalloprotease activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed