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TargetShiga toxin subunit A
LigandBDBM50199482
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1621651 (CHEMBL3863934)
Ki 42460±n/a nM
Citation Chauhan, VChaudhary, DPathak, USaxena, NDhaked, RK In Silico Discovery and Validation of Amide Based Small Molecule Targeting the Enzymatic Site of Shiga Toxin. J Med Chem59:10763-10773 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Shiga toxin subunit A
Name:Shiga toxin subunit A
Synonyms:STXA_SHIDY | Shiga toxin subunit A | stxA
Type:PROTEIN
Mol. Mass.:34823.39
Organism:Shigella dysenteriae
Description:ChEMBL_116947
Residue:315
Sequence:
MKIIIFRVLTFFFVIFSVNVVAKEFTLDFSTAKTYVDSLNVIRSAIGTPLQTISSGGTSL
LMIDSGTGDNLFAVDVRGIDPEEGRFNNLRLIVERNNLYVTGFVNRTNNVFYRFADFSHV
TFPGTTAVTLSGDSSYTTLQRVAGISRTGMQINRHSLTTSYLDLMSHSGTSLTQSVARAM
LRFVTVTAEALRFRQIQRGFRTTLDDLSGRSYVMTAEDVDLTLNWGRLSSVLPDYHGQDS
VRVGRISFGSINAILGSVALILNCHHHASRVARMASDEFPSMCPADGRVRGITHNKILWD
SSTLGAILMRRTISS
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  Blast E-value cutoff:
BDBM50199482
n/a
NameBDBM50199482
Synonyms:CHEMBL3963596
TypeSmall organic molecule
Emp. Form.C17H19N3O3S
Mol. Mass.345.416
SMILES[O-][N+](=O)c1ccc(cc1)C(=O)NCCNCCSc1ccccc1
Structure
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