| Reaction Details |
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 | Report a problem with these data |
| Target | Isoleucine--tRNA ligase |
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| Ligand | BDBM50458120 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1762360 (CHEMBL4197607) |
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| Ki | 213±n/a nM |
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| 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 Chem148:384-396 (2018) [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 |
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| Synonyms: | Isoleucine--tRNA ligase | SYI_ECOLI | ileS | ilvS | tRNA synthetase (IleRS) |
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| Type: | Enzyme |
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| Mol. Mass.: | 104286.05 |
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| Organism: | Escherichia coli |
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| Description: | n/a |
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| Residue: | 938 |
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| Sequence: | MSDYKSTLNLPETGFPMRGDLAKREPGMLARWTDDDLYGIIRAAKKGKKTFILHDGPPYA
NGSIHIGHSVNKILKDIIVKSKGLSGYDSPYVPGWDCHGLPIELKVEQEYGKPGEKFTAA
EFRAKCREYAATQVDGQRKDFIRLGVLGDWSHPYLTMDFKTEANIIRALGKIIGNGHLHK
GAKPVHWCVDCRSALAEAEVEYYDKTSPSIDVAFQAVDQDALKAKFAVSNVNGPISLVIW
TTTPWTLPANRAISIAPDFDYALVQIDGQAVILAKDLVESVMQRIGVTDYTILGTVKGAE
LELLRFTHPFMGFDVPAILGDHVTLDAGTGAVHTAPGHGPDDYVIGQKYGLETANPVGPD
GTYLPGTYPTLDGVNVFKANDIVVALLQEKGALLHVEKMQHSYPCCWRHKTPIIFRATPQ
WFVSMDQKGLRAQSLKEIKGVQWIPDWGQARIESMVANRPDWCISRQRTWGVPMSLFVHK
DTEELHPRTLELMEEVAKRVEVDGIQAWWDLDAKEILGDEADQYVKVPDTLDVWFDSGST
HSSVVDVRPEFAGHAADMYLEGSDQHRGWFMSSLMISTAMKGKAPYRQVLTHGFTVDGQG
RKMSKSIGNTVSPQDVMNKLGADILRLWVASTDYTGEMAVSDEILKRAADSYRRIRNTAR
FLLANLNGFDPAKDMVKPEEMVVLDRWAVGCAKAAQEDILKAYEAYDFHEVVQRLMRFCS
VEMGSFYLDIIKDRQYTAKADSVARRSCQTALYHIAEALVRWMAPILSFTADEVWGYLPG
EREKYVFTGEWYEGLFGLADSEAMNDAFWDELLKVRGEVNKVIEQARADKKVGGSLEAAV
TLYAEPELSAKLTALGDELRFVLLTSGATVADYNDAPADAQQSEVLKGLKVALSKAEGEK
CPRCWHYTQDVGKVAEHAEICGRCVSNVAGDGEKRKFA
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| BDBM50458120 |
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| n/a |
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| Name | BDBM50458120 |
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| Synonyms: | CHEMBL4215986 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H26N6O7S |
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| Mol. Mass. | 458.489 |
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| 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)n1cnc2c(N)nccc12 |r| |
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| Structure | 
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