| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Botulinum neurotoxin type A |
|---|
| Ligand | BDBM50447125 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1290079 (CHEMBL3117199) |
|---|
| IC50 | 2000±n/a nM |
|---|
| Citation |  Caglic, D; Krutein, MC; Bompiani, KM; Barlow, DJ; Benoni, G; Pelletier, JC; Reitz, AB; Lairson, LL; Houseknecht, KL; Smith, GR; Dickerson, TJ Identification of clinically viable quinolinol inhibitors of botulinum neurotoxin A light chain. J Med Chem57:669-76 (2014) [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
|
|
|
|---|
| BDBM50447125 |
|---|
| n/a |
|---|
| Name | BDBM50447125 |
|---|
| Synonyms: | CHEMBL3112911 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C21H19N3OS |
|---|
| Mol. Mass. | 361.46 |
|---|
| SMILES | Cc1ccc(s1)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O |
|---|
| Structure | 
|
|---|
Search and Browse
