| Reaction Details |
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 | Report a problem with these data |
| Target | Shiga toxin subunit A |
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| Ligand | BDBM76395 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1621651 (CHEMBL3863934) |
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| Ki | 9930±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 |
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| Synonyms: | STXA_SHIDY | Shiga toxin subunit A | stxA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 34823.39 |
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| Organism: | Shigella dysenteriae |
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| Description: | ChEMBL_116947 |
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| Residue: | 315 |
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| Sequence: | MKIIIFRVLTFFFVIFSVNVVAKEFTLDFSTAKTYVDSLNVIRSAIGTPLQTISSGGTSL
LMIDSGTGDNLFAVDVRGIDPEEGRFNNLRLIVERNNLYVTGFVNRTNNVFYRFADFSHV
TFPGTTAVTLSGDSSYTTLQRVAGISRTGMQINRHSLTTSYLDLMSHSGTSLTQSVARAM
LRFVTVTAEALRFRQIQRGFRTTLDDLSGRSYVMTAEDVDLTLNWGRLSSVLPDYHGQDS
VRVGRISFGSINAILGSVALILNCHHHASRVARMASDEFPSMCPADGRVRGITHNKILWD
SSTLGAILMRRTISS
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| BDBM76395 |
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| n/a |
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| Name | BDBM76395 |
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| Synonyms: | (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one | (E)-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one | MLS000438984 | SMR000113000 | cid_5331295 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H14O3 |
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| Mol. Mass. | 254.2806 |
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| SMILES | COc1ccc(\C=C\C(=O)c2ccccc2O)cc1 |
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| Structure | 
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