Reaction Details |
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Target | Botulinum neurotoxin type A |
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Ligand | BDBM43865 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_938419 (CHEMBL2329362) |
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Ki | 25000±n/a nM |
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Citation | Silhár, P; Lardy, MA; Hixon, MS; Shoemaker, CB; Barbieri, JT; Struss, AK; Lively, JM; Javor, S; Janda, KD The C-terminus of Botulinum A Protease Has Profound and Unanticipated Kinetic Consequences Upon the Catalytic Cleft. ACS Med Chem Lett4:283-287 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Botulinum neurotoxin type A |
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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
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BDBM43865 |
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n/a |
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Name | BDBM43865 |
Synonyms: | 6-formyl-4,7-dihydroxy-9-keto-5H-phenazine-1-carboxylic acid methyl ester | 6-formyl-4,7-dihydroxy-9-oxo-5H-phenazine-1-carboxylic acid methyl ester | Glycopeptide, 4 | Lomofungin | MLS000766240 | SMR000528852 | cid_5351222 | methyl 6-formyl-4,7-dihydroxy-9-oxo-5H-phenazine-1-carboxylate | methyl 6-methanoyl-4,7-bis(oxidanyl)-9-oxidanylidene-5H-phenazine-1-carboxylate |
Type | Peptide |
Emp. Form. | C15H10N2O6 |
Mol. Mass. | 314.2497 |
SMILES | COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12 |
Structure |
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