Reaction Details Report a problem with these data
Target
Botulinum neurotoxin type A [1-429]
Ligand
BDBM506825
Substrate
n/a
Meas. Tech.
BoNT/A LC429 Enzymatic assay
Ki
4.50±n/a nM
Citation
 Jiao, G; Johnson, AT; O''Malley, S; Kim, SJ Hydroxamic acids comprising pyrazole moiety and uses thereof US Patent  US11046652 Publication Date 6/29/2021 
Target
Name:
Botulinum neurotoxin type A [1-429]
Synonyms:
BXA1_CLOBH | BoNT/A LC | Botulinum neurotoxin type A | bna | botA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49198.33
Organism:
Clostridium botulinum (strain Hall / ATCC 3502 / NCTC 13319 / Type A)
Description:
P0DPI1[1-429] First 11 removed
Residue:
429
Sequence:
MPFVNKQFNYKDPVNGVDIAYIKIPNAGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEFYKLL
  
Inhibitor
Name:
BDBM506825
Synonyms:
US11046652, Example 2-4
Type:
Small organic molecule
Emp. Form.:
C19H26FN3O3
Mol. Mass.:
363.4264
SMILES:
CO[C@H](CC(=O)NO)[C@H](Cc1ccc(F)cc1C)c1ccnn1C(C)C |r|
Structure:
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