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Target
Isoleucine--tRNA ligase
Ligand
BDBM50227803
Substrate
n/a
Meas. Tech.
ChEMBL_88803 (CHEMBL699460)
IC50
14800±n/a nM
Citation
 Klein, LL; Yeung, CM; Kurath, P; Mao, JC; Fernandes, PB; Lartey, PA; Pernet, AG Synthesis and activity of nonhydrolyzable pseudomonic acid analogues. J Med Chem 32:151-60 (1989) [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:
BDBM50227803
Synonyms:
CHEMBL40920
Type:
Small organic molecule
Emp. Form.:
C30H54O6S3
Mol. Mass.:
606.941
SMILES:
[H][C@]1(O[C@H]1CC1CO[C@@H](C\C(C)=C\C(=O)CCCCCCCCCC(SC)(SC)SC)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O
Structure:
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