| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Botulinum neurotoxin type A |
|---|
| Ligand | BDBM50304911 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_606605 (CHEMBL1071241) |
|---|
| IC50 | 62500±n/a nM |
|---|
| Citation |  Capková, K; Hixon, MS; Pellett, S; Barbieri, JT; Johnson, EA; Janda, KD Benzylidene cyclopentenediones: First irreversible inhibitors against botulinum neurotoxin A's zinc endopeptidase. Bioorg Med Chem Lett20:206-8 (2010) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Botulinum neurotoxin type A |
|---|
| Name: | Botulinum neurotoxin type A |
|---|
| Synonyms: | BXA1_CLOBO | atx | bonT | botA |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 149450.01 |
|---|
| Organism: | Clostridium botulinum |
|---|
| Description: | ChEMBL_1510137 |
|---|
| Residue: | 1296 |
|---|
| Sequence: | MPFVNKQFNYKDPVNGVDIAYIKIPNVGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLN
PPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGG
STIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGY
GSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPN
RVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKA
KSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKV
LNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFT
GLFEFYKLLCVRGIITSKTKSLDKGYNKALNDLCIKVNNWDLFFSPSEDNFTNDLNKGEE
ITSDTNIEAAEENISLDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIERFPNG
KKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNPSRVYTFFSSDYVKKVNKATEA
AMFLGWVEQLVYDFTDETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGALIFSG
AVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNALSKRNEKWDEVYKYIVTNWLAK
VNTQIDLIRKKMKEALENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNESINKA
MININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDALLKYIYDNRGTLIGQVDRLKDK
VNNTLSTDIPFQLSKYVDNQRLLSTFTEYIKNIINTSILNLRYESNHLIDLSRYASKINI
GSKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYNSMYENFSTSFWIRIPKYFNSISLNN
EYTIINCMENNSGWKVSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWIFVTIT
NNRLNNSKIYINGRLIDQKPISNLGNIHASNNIMFKLDGCRDTHRYIWIKYFNLFDKELN
EKEIKDLYDNQSNSGILKDFWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMYLKGPR
GSVMTTNIYLNSSLYRGTKFIIKKYASGNKDNIVRNNDRVYINVVVKNKEYRLATNASQA
GVEKILSALEIPDVGNLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQFNNIAK
LVASNWYNRQIERSSRTLGCSWEFIPVDDGWGERPL
|
|
|
|---|
| BDBM50304911 |
|---|
| n/a |
|---|
| Name | BDBM50304911 |
|---|
| Synonyms: | 1-(2,4-dichlorobenzyl)-1H-pyrrole-2,5-dione | CHEMBL592938 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C11H7Cl2NO2 |
|---|
| Mol. Mass. | 256.085 |
|---|
| SMILES | Clc1ccc(CN2C(=O)C=CC2=O)c(Cl)c1 |c:9| |
|---|
| Structure | 
|
|---|
Search and Browse
