| Reaction Details |
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 | Report a problem with these data |
| Target | Botulinum neurotoxin type B |
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| Ligand | BDBM50360392 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_795995 (CHEMBL1936267) |
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| IC50 | >100000±n/a nM |
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| Citation |  Li, B; Cardinale, SC; Butler, MM; Pai, R; Nuss, JE; Peet, NP; Bavari, S; Bowlin, TL Time-dependent botulinum neurotoxin serotype A metalloprotease inhibitors. Bioorg Med Chem19:7338-48 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Botulinum neurotoxin type B |
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| Name: | Botulinum neurotoxin type B |
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| Synonyms: | BXB_CLOBO | BoNT/B | Bontoxilysin-B | Botulinum neurotoxin B heavy chain | Botulinum neurotoxin B light chain | botB |
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| Type: | PROTEIN |
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| Mol. Mass.: | 150779.03 |
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| Organism: | Clostridium botulinum |
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| Description: | ChEMBL_795995 |
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| Residue: | 1291 |
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| Sequence: | MPVTINNFNYNDPIDNNNIIMMEPPFARGTGRYYKAFKITDRIWIIPERYTFGYKPEDFN
KSSGIFNRDVCEYYDPDYLNTNDKKNIFLQTMIKLFNRIKSKPLGEKLLEMIINGIPYLG
DRRVPLEEFNTNIASVTVNKLISNPGEVERKKGIFANLIIFGPGPVLNENETIDIGIQNH
FASREGFGGIMQMKFCPEYVSVFNNVQENKGASIFNRRGYFSDPALILMHELIHVLHGLY
GIKVDDLPIVPNEKKFFMQSTDAIQAEELYTFGGQDPSIITPSTDKSIYDKVLQNFRGIV
DRLNKVLVCISDPNININIYKNKFKDKYKFVEDSEGKYSIDVESFDKLYKSLMFGFTETN
IAENYKIKTRASYFSDSLPPVKIKNLLDNEIYTIEEGFNISDKDMEKEYRGQNKAINKQA
YEEISKEHLAVYKIQMCKSVKAPGICIDVDNEDLFFIADKNSFSDDLSKNERIEYNTQSN
YIENDFPINELILDTDLISKIELPSENTESLTDFNVDVPVYEKQPAIKKIFTDENTIFQY
LYSQTFPLDIRDISLTSSFDDALLFSNKVYSFFSMDYIKTANKVVEAGLFAGWVKQIVND
FVIEANKSNTMDKIADISLIVPYIGLALNVGNETAKGNFENAFEIAGASILLEFIPELLI
PVVGAFLLESYIDNKNKIIKTIDNALTKRNEKWSDMYGLIVAQWLSTVNTQFYTIKEGMY
KALNYQAQALEEIIKYRYNIYSEKEKSNINIDFNDINSKLNEGINQAIDNINNFINGCSV
SYLMKKMIPLAVEKLLDFDNTLKKNLLNYIDENKLYLIGSAEYEKSKVNKYLKTIMPFDL
SIYTNDTILIEMFNKYNSEILNNIILNLRYKDNNLIDLSGYGAKVEVYDGVELNDKNQFK
LTSSANSKIRVTQNQNIIFNSVFLDFSVSFWIRIPKYKNDGIQNYIHNEYTIINCMKNNS
GWKISIRGNRIIWTLIDINGKTKSVFFEYNIREDISEYINRWFFVTITNNLNNAKIYING
KLESNTDIKDIREVIANGEIIFKLDGDIDRTQFIWMKYFSIFNTELSQSNIEERYKIQSY
SEYLKDFWGNPLMYNKEYYMFNAGNKNSYIKLKKDSPVGEILTRSKYNQNSKYINYRDLY
IGEKFIIRRKSNSQSINDDIVRKEDYIYLDFFNLNQEWRVYTYKYFKKEEEKLFLAPISD
SDEFYNTIQIKEYDEQPTYSCQLLFKKDEESTDEIGLIGIHRFYESGIVFEEYKDYFCIS
KWYLKEVKRKPYNLKLGCNWQFIPKDEGWTE
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| BDBM50360392 |
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| n/a |
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| Name | BDBM50360392 |
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| Synonyms: | CHEMBL1933865 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H12IN3O |
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| Mol. Mass. | 401.2012 |
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| SMILES | COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1I |
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| Structure | 
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