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Target
Aspartate--tRNA ligase
Ligand
BDBM50458117
Substrate
n/a
Meas. Tech.
ChEMBL_1762363 (CHEMBL4197610)
Ki
25±n/a nM
Citation
 Zhang, B; De Graef, S; Nautiyal, M; Pang, L; Gadakh, B; Froeyen, M; Van Mellaert, L; Strelkov, SV; Weeks, SD; Van Aerschot, A Family-wide analysis of aminoacyl-sulfamoyl-3-deazaadenosine analogues as inhibitors of aminoacyl-tRNA synthetases. Eur J Med Chem 148:384-396 (2018) [PubMed]  Article 
Target
Name:
Aspartate--tRNA ligase
Synonyms:
Aspartate--tRNA ligase | Aspartyl-tRNA synthetase | SYD_ECOLI | aspS | tRNA synthetase (AspRS) | tls
Type:
Enzyme
Mol. Mass.:
65905.14
Organism:
Escherichia coli
Description:
E. coli AspRS carrying a C-terminal poly-histidine tag was overproduced in E. coli.
Residue:
590
Sequence:
MRTEYCGQLRLSHVGQQVTLCGWVNRRRDLGSLIFIDMRDREGIVQVFFDPDRADALKLASELRNEFCIQVTGTVRARDEKNINRDMATGEIEVLASSLTIINRADVLPLDSNHVNTEEARLKYRYLDLRRPEMAQRLKTRAKITSLVRRFMDDHGFLDIETPMLTKATPEGARDYLVPSRVHKGKFYALPQSPQLFKQLLMMSGFDRYYQIVKCFRDEDLRADRQPEFTQIDVETSFMTAPQVREVMEALVRHLWLEVKGVDLGDFPVMTFAEAERRYGSDKPDLRNPMELTDVADLLKSVEFAVFAGPANDPKGRVAALRVPGGASLTRKQIDEYGNFVKIYGAKGLAYIKVNERAKGLEGINSPVAKFLNAEIIEDILDRTAAQDGDMIFFGADNKKIVADAMGALRLKVGKDLGLTDESKWAPLWVIDFPMFEDDGEGGLTAMHHPFTSPKDMTAAELKAAPENAVANAYDMVINGYEVGGGSVRIHNGDMQQTVFGILGINEEEQREKFGFLLDALKYGTPPHAGLAFGLDRLTMLLTGTDNIRDVIAFPKTTAAACLMTEAPSFANPTALAELSIQVVKKAENN
  
Inhibitor
Name:
BDBM50458117
Synonyms:
CHEMBL4203761
Type:
Small organic molecule
Emp. Form.:
C15H20N6O9S
Mol. Mass.:
460.419
SMILES:
N[C@@H](CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12 |r|
Structure:
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