Reaction Details |
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Target | Shiga toxin subunit A |
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Ligand | BDBM50199482 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1621651 (CHEMBL3863934) |
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Ki | 42460±n/a nM |
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Citation | Chauhan, V; Chaudhary, D; Pathak, U; Saxena, N; Dhaked, 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 |
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More Info.: | Get all data from this article, Assay Method |
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Shiga toxin subunit A |
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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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BDBM50199482 |
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n/a |
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Name | BDBM50199482 |
Synonyms: | CHEMBL3963596 |
Type | Small organic molecule |
Emp. Form. | C17H19N3O3S |
Mol. Mass. | 345.416 |
SMILES | [O-][N+](=O)c1ccc(cc1)C(=O)NCCNCCSc1ccccc1 |
Structure |
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