BDBM50242335 (S)-2-{(S)-2-[(S)-6-Amino-2-((2S,3R)-2-{(S)-2-[(S)-6-amino-2-((S)-2-mercapto-3-phenyl-propionylamino)-hexanoylamino]-propionylamino}-3-hydroxy-butyrylamino)-hexanoylamino]-4-methylsulfanyl-butyrylamino}-4-methyl-pentanoic acid::CHEMBL453608

SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](S)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key InChIKey=GHUKEVSVBLQNOZ-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 = 50242335   

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

Curated by ChEMBL
LigandPNGBDBM50242335((S)-2-{(S)-2-[(S)-6-Amino-2-((2S,3R)-2-{(S)-2-[(S)...)
Affinity DataKi: >3.00E+5nMAssay 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