Reaction Details |
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Target | Isoleucine--tRNA ligase |
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Ligand | BDBM50524354 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1892858 (CHEMBL4394779) |
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Ki | 55±n/a nM |
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Citation | Nautiyal, M; De Graef, S; Pang, L; Gadakh, B; Strelkov, SV; Weeks, SD; Van Aerschot, A Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur J Med Chem173:154-166 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Isoleucine--tRNA ligase |
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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: | MSDYKSTLNLPETGFPMRGDLAKREPGMLARWTDDDLYGIIRAAKKGKKTFILHDGPPYA
NGSIHIGHSVNKILKDIIVKSKGLSGYDSPYVPGWDCHGLPIELKVEQEYGKPGEKFTAA
EFRAKCREYAATQVDGQRKDFIRLGVLGDWSHPYLTMDFKTEANIIRALGKIIGNGHLHK
GAKPVHWCVDCRSALAEAEVEYYDKTSPSIDVAFQAVDQDALKAKFAVSNVNGPISLVIW
TTTPWTLPANRAISIAPDFDYALVQIDGQAVILAKDLVESVMQRIGVTDYTILGTVKGAE
LELLRFTHPFMGFDVPAILGDHVTLDAGTGAVHTAPGHGPDDYVIGQKYGLETANPVGPD
GTYLPGTYPTLDGVNVFKANDIVVALLQEKGALLHVEKMQHSYPCCWRHKTPIIFRATPQ
WFVSMDQKGLRAQSLKEIKGVQWIPDWGQARIESMVANRPDWCISRQRTWGVPMSLFVHK
DTEELHPRTLELMEEVAKRVEVDGIQAWWDLDAKEILGDEADQYVKVPDTLDVWFDSGST
HSSVVDVRPEFAGHAADMYLEGSDQHRGWFMSSLMISTAMKGKAPYRQVLTHGFTVDGQG
RKMSKSIGNTVSPQDVMNKLGADILRLWVASTDYTGEMAVSDEILKRAADSYRRIRNTAR
FLLANLNGFDPAKDMVKPEEMVVLDRWAVGCAKAAQEDILKAYEAYDFHEVVQRLMRFCS
VEMGSFYLDIIKDRQYTAKADSVARRSCQTALYHIAEALVRWMAPILSFTADEVWGYLPG
EREKYVFTGEWYEGLFGLADSEAMNDAFWDELLKVRGEVNKVIEQARADKKVGGSLEAAV
TLYAEPELSAKLTALGDELRFVLLTSGATVADYNDAPADAQQSEVLKGLKVALSKAEGEK
CPRCWHYTQDVGKVAEHAEICGRCVSNVAGDGEKRKFA
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BDBM50524354 |
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n/a |
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Name | BDBM50524354 |
Synonyms: | CHEMBL3265243 |
Type | Small organic molecule |
Emp. Form. | C15H24N4O9S |
Mol. Mass. | 436.437 |
SMILES | CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r| |
Structure |
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