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Target
Isoleucine--tRNA ligase
Ligand
BDBM50544146
Substrate
n/a
Meas. Tech.
ChEMBL_1991805 (CHEMBL4625540)
Ki
114±n/a nM
Citation
 De Ruysscher, D; Pang, L; Mattelaer, CA; Nautiyal, M; De Graef, S; Rozenski, J; Strelkov, SV; Lescrinier, E; Weeks, SD; Van Aerschot, A Phenyltriazole-functionalized sulfamate inhibitors targeting tyrosyl- or isoleucyl-tRNA synthetase. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Isoleucine--tRNA ligase
Synonyms:
Isoleucine--tRNA ligase | SYI_ECOLI | ileS | ilvS | tRNA synthetase (IleRS)
Type:
Enzyme
Mol. Mass.:
104286.05
Organism:
Escherichia coli
Description:
n/a
Residue:
938
Sequence:
MSDYKSTLNLPETGFPMRGDLAKREPGMLARWTDDDLYGIIRAAKKGKKTFILHDGPPYANGSIHIGHSVNKILKDIIVKSKGLSGYDSPYVPGWDCHGLPIELKVEQEYGKPGEKFTAAEFRAKCREYAATQVDGQRKDFIRLGVLGDWSHPYLTMDFKTEANIIRALGKIIGNGHLHKGAKPVHWCVDCRSALAEAEVEYYDKTSPSIDVAFQAVDQDALKAKFAVSNVNGPISLVIWTTTPWTLPANRAISIAPDFDYALVQIDGQAVILAKDLVESVMQRIGVTDYTILGTVKGAELELLRFTHPFMGFDVPAILGDHVTLDAGTGAVHTAPGHGPDDYVIGQKYGLETANPVGPDGTYLPGTYPTLDGVNVFKANDIVVALLQEKGALLHVEKMQHSYPCCWRHKTPIIFRATPQWFVSMDQKGLRAQSLKEIKGVQWIPDWGQARIESMVANRPDWCISRQRTWGVPMSLFVHKDTEELHPRTLELMEEVAKRVEVDGIQAWWDLDAKEILGDEADQYVKVPDTLDVWFDSGSTHSSVVDVRPEFAGHAADMYLEGSDQHRGWFMSSLMISTAMKGKAPYRQVLTHGFTVDGQGRKMSKSIGNTVSPQDVMNKLGADILRLWVASTDYTGEMAVSDEILKRAADSYRRIRNTARFLLANLNGFDPAKDMVKPEEMVVLDRWAVGCAKAAQEDILKAYEAYDFHEVVQRLMRFCSVEMGSFYLDIIKDRQYTAKADSVARRSCQTALYHIAEALVRWMAPILSFTADEVWGYLPGEREKYVFTGEWYEGLFGLADSEAMNDAFWDELLKVRGEVNKVIEQARADKKVGGSLEAAVTLYAEPELSAKLTALGDELRFVLLTSGATVADYNDAPADAQQSEVLKGLKVALSKAEGEKCPRCWHYTQDVGKVAEHAEICGRCVSNVAGDGEKRKFA
  
Inhibitor
Name:
BDBM50544146
Synonyms:
CHEMBL4648043
Type:
Small organic molecule
Emp. Form.:
C22H33N5O8S
Mol. Mass.:
527.591
SMILES:
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](OCCn2cc(nn2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
Structure:
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