| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Botulinum neurotoxin type A |
|---|
| Ligand | BDBM50384948 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_821371 (CHEMBL2040354) |
|---|
| Ki | 10880±n/a nM |
|---|
| Citation |  Opsenica, I; Filipovic, V; Nuss, JE; Gomba, LM; Opsenica, D; Burnett, JC; Gussio, R; Solaja, BA; Bavari, S The synthesis of 2,5-bis(4-amidinophenyl)thiophene derivatives providing submicromolar-range inhibition of the botulinum neurotoxin serotype A metalloprotease. Eur J Med Chem53:374-9 (2012) [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
|
|
|
|---|
| BDBM50384948 |
|---|
| n/a |
|---|
| Name | BDBM50384948 |
|---|
| Synonyms: | CHEMBL2037287 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H16N4S |
|---|
| Mol. Mass. | 320.411 |
|---|
| SMILES | NC(=N)c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)C(N)=N |
|---|
| Structure | 
|
|---|
Search and Browse
