| Reaction Details |
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 | Report a problem with these data |
| Target | Lethal factor/Protective antigen |
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| Ligand | BDBM50010642 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1353638 (CHEMBL3271072) |
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| IC50 | 2500±n/a nM |
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| Citation |  Jung, ME; Chamberlain, BT; Ho, CL; Gillespie, EJ; Bradley, KA Structure-Activity Relationship of Semicarbazone EGA Furnishes Photoaffinity Inhibitors of Anthrax Toxin Cellular Entry. ACS Med Chem Lett5:363-7 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Lethal factor/Protective antigen |
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| Name: | Lethal factor/Protective antigen |
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| Synonyms: | Antrax lethal toxin |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1353638 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Protective antigen |
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| Synonyms: | PAG_BACAN | pag | pagA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 85806.95 |
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| Organism: | Bacillus anthracis |
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| Description: | ChEMBL_872965 |
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| Residue: | 764 |
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| Sequence: | MKKRKVLIPLMALSTILVSSTGNLEVIQAEVKQENRLLNESESSSQGLLGYYFSDLNFQA
PMVVTSSTTGDLSIPSSELENIPSENQYFQSAIWSGFIKVKKSDEYTFATSADNHVTMWV
DDQEVINKASNSNKIRLEKGRLYQIKIQYQRENPTEKGLDFKLYWTDSQNKKEVISSDNL
QLPELKQKSSNSRKKRSTSAGPTVPDRDNDGIPDSLEVEGYTVDVKNKRTFLSPWISNIH
EKKGLTKYKSSPEKWSTASDPYSDFEKVTGRIDKNVSPEARHPLVAAYPIVHVDMENIIL
SKNEDQSTQNTDSQTRTISKNTSTSRTHTSEVHGNAEVHASFFDIGGSVSAGFSNSNSST
VAIDHSLSLAGERTWAETMGLNTADTARLNANIRYVNTGTAPIYNVLPTTSLVLGKNQTL
ATIKAKENQLSQILAPNNYYPSKNLAPIALNAQDDFSSTPITMNYNQFLELEKTKQLRLD
TDQVYGNIATYNFENGRVRVDTGSNWSEVLPQIQETTARIIFNGKDLNLVERRIAAVNPS
DPLETTKPDMTLKEALKIAFGFNEPNGNLQYQGKDITEFDFNFDQQTSQNIKNQLAELNA
TNIYTVLDKIKLNAKMNILIRDKRFHYDRNNIAVGADESVVKEAHREVINSSTEGLLLNI
DKDIRKILSGYIVEIEDTEGLKEVINDRYDMLNISSLRQDGKTFIDFKKYNDKLPLYISN
PNYKVNVYAVTKENTIINPSENGDTSTNGIKKILIFSKKGYEIG
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| Component 2 |
| Name: | Lethal factor |
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| Synonyms: | Anthrax Lethal Factor (LF) | Anthrax lethal factor | Antrax lethal toxin | LEF_BACAN | lef | lethal factor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 93758.56 |
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| Organism: | Bacillus anthracis |
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| Description: | ChEMBL_1460338 |
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| Residue: | 809 |
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| Sequence: | MNIKKEFIKVISMSCLVTAITLSGPVFIPLVQGAGGHGDVGMHVKEKEKNKDENKRKDEE
RNKTQEEHLKEIMKHIVKIEVKGEEAVKKEAAEKLLEKVPSDVLEMYKAIGGKIYIVDGD
ITKHISLEALSEDKKKIKDIYGKDALLHEHYVYAKEGYEPVLVIQSSEDYVENTEKALNV
YYEIGKILSRDILSKINQPYQKFLDVLNTIKNASDSDGQDLLFTNQLKEHPTDFSVEFLE
QNSNEVQEVFAKAFAYYIEPQHRDVLQLYAPEAFNYMDKFNEQEINLSLEELKDQRMLAR
YEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKRIQIDSS
DFLSTEEKEFLKKLQIDIRDSLSEEEKELLNRIQVDSSNPLSEKEKEFLKKLKLDIQPYD
INQRLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYNKIYLYENMNINNLT
ATLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINERPALDNERLKWRIQLSP
DTRAGYLENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAKVVPKSKIDTKIQEAQLNIN
QEWNKALGLPKYTKLITFNVHNRYASNIVESAYLILNEWKNNIQSDLIKKVTNYLVDGNG
RFVFTDITLPNIAEQYTHQDEIYEQVHSKGLYVPESRSILLHGPSKGVELRNDSEGFIHE
FGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNEAEFFAEAFRLMHST
DHAERLKVQKNAPKTFQFINDQIKFIINS
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| BDBM50010642 |
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| n/a |
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| Name | BDBM50010642 |
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| Synonyms: | CHEMBL3264428 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H18BrN3O |
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| Mol. Mass. | 360.248 |
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| SMILES | C\C(=N/NC(=O)Nc1c(C)cccc1C)c1ccc(Br)cc1 |
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| Structure | 
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