Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBotulinum neurotoxin type E
LigandBDBM50189883
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1590440 (CHEMBL3830810)
Ki 1290±n/a nM
Citation Kumar, GAgarwal, RSwaminathan, S Small molecule non-peptide inhibitors of botulinum neurotoxin serotype E: Structure-activity relationship and a pharmacophore model. Bioorg Med Chem24:3978-3985 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Botulinum neurotoxin type E
Name:Botulinum neurotoxin type E
Synonyms:BXE_CLOBO | BoNT/E | Bontoxilysin-E | Botulinum neurotoxin E heavy chain | Botulinum neurotoxin E light chain | Botulinum neurotoxin type E | botE
Type:PROTEIN
Mol. Mass.:143842.39
Organism:Clostridium botulinum
Description:ChEMBL_103941
Residue:1251
Sequence:
MPKINSFNYNDPVNDRTILYIKPGGCQEFYKSFNIMKNIWIIPERNVIGTTPQDFHPPTS
LKNGDSSYYDPNYLQSDEEKDRFLKIVTKIFNRINNNLSGGILLEELSKANPYLGNDNTP
DNQFHIGDASAVEIKFSNGSQDILLPNVIIMGAEPDLFETNSSNISLRNNYMPSNHRFGS
IAIVTFSPEYSFRFNDNCMNEFIQDPALTLMHELIHSLHGLYGAKGITTKYTITQKQNPL
ITNIRGTNIEEFLTFGGTDLNIITSAQSNDIYTNLLADYKKIASKLSKVQVSNPLLNPYK
DVFEAKYGLDKDASGIYSVNINKFNDIFKKLYSFTEFDLRTKFQVKCRQTYIGQYKYFKL
SNLLNDSIYNISEGYNINNLKVNFRGQNANLNPRIITPITGRGLVKKIIRFCKNIVSVKG
IRKSICIEINNGELFFVASENSYNDDNINTPKEIDDTVTSNNNYENDLDQVILNFNSESA
PGLSDEKLNLTIQNDAYIPKYDSNGTSDIEQHDVNELNVFFYLDAQKVPEGENNVNLTSS
IDTALLEQPKIYTFFSSEFINNVNKPVQAALFVSWIQQVLVDFTTEANQKSTVDKIADIS
IVVPYIGLALNIGNEAQKGNFKDALELLGAGILLEFEPELLIPTILVFTIKSFLGSSDNK
NKVIKAINNALKERDEKWKEVYSFIVSNWMTKINTQFNKRKEQMYQALQNQVNAIKTIIE
SKYNSYTLEEKNELTNKYDIKQIENELNQKVSIAMNNIDRFLTESSISYLMKIINEVKIN
KLREYDENVKTYLLNYIIQHGSILGESQQELNSMVTDTLNNSIPFKLSSYTDDKILISYF
NKFFKRIKSSSVLNMRYKNDKYVDTSGYDSNININGDVYKYPTNKNQFGIYNDKLSEVNI
SQNDYIIYDNKYKNFSISFWVRIPNYDNKIVNVNNEYTIINCMRDNNSGWKVSLNHNEII
WTFEDNRGINQKLAFNYGNANGISDYINKWIFVTITNDRLGDSKLYINGNLIDQKSILNL
GNIHVSDNILFKIVNCSYTRYIGIRYFNIFDKELDETEIQTLYSNEPNTNILKDFWGNYL
LYDKEYYLLNVLKPNNFIDRRKDSTLSINNIRSTILLANRLYSGIKVKIQRVNNSSTNDN
LVRKNDQVYINFVASKTHLFPLYADTATTNKEKTIKISSSGNRFNQVVVMNSVGNCTMNF
KNNNGNNIGLLGFKADTVVASTWYYTHMRDHTNSNGCFWNFISEEHGWQEK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50189883
n/a
NameBDBM50189883
Synonyms:CHEMBL1999371
TypeSmall organic molecule
Emp. Form.C21H14O3
Mol. Mass.314.3341
SMILESOC(=O)c1ccccc1C(=O)c1ccc-2c(Cc3ccccc-23)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: