| Reaction Details |
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 | Report a problem with these data |
| Target | Leucine--tRNA ligase |
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| Ligand | BDBM50569957 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2110785 (CHEMBL4819635) |
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| Ki | 18±n/a nM |
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| Citation |  De Ruysscher, D; Pang, L; Lenders, SMG; Cappoen, D; Cos, P; Rozenski, J; Strelkov, SV; Weeks, SD; Van Aerschot, A Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors. Eur J Med Chem211:0 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Leucine--tRNA ligase |
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| Name: | Leucine--tRNA ligase |
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| Synonyms: | 6.1.1.4 | LeuRS | Leucine--tRNA ligase | Leucyl-tRNA synthetase | SYL_ECOLI | leuS |
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| Type: | PROTEIN |
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| Mol. Mass.: | 97211.51 |
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| Organism: | Escherichia coli (strain K12) |
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| Description: | ChEMBL_117811 |
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| Residue: | 860 |
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| Sequence: | MQEQYRPEEIESKVQLHWDEKRTFEVTEDESKEKYYCLSMLPYPSGRLHMGHVRNYTIGD
VIARYQRMLGKNVLQPIGWDAFGLPAEGAAVKNNTAPAPWTYDNIAYMKNQLKMLGFGYD
WSRELATCTPEYYRWEQKFFTELYKKGLVYKKTSAVNWCPNDQTVLANEQVIDGCCWRCD
TKVERKEIPQWFIKITAYADELLNDLDKLDHWPDTVKTMQRNWIGRSEGVEITFNVNDYD
NTLTVYTTRPDTFMGCTYLAVAAGHPLAQKAAENNPELAAFIDECRNTKVAEAEMATMEK
KGVDTGFKAVHPLTGEEIPVWAANFVLMEYGTGAVMAVPGHDQRDYEFASKYGLNIKPVI
LAADGSEPDLSQQALTEKGVLFNSGEFNGLDHEAAFNAIADKLTAMGVGERKVNYRLRDW
GVSRQRYWGAPIPMVTLEDGTVMPTPDDQLPVILPEDVVMDGITSPIKADPEWAKTTVNG
MPALRETDTFDTFMESSWYYARYTCPQYKEGMLDSEAANYWLPVDIYIGGIEHAIMHLLY
FRFFHKLMRDAGMVNSDEPAKQLLCQGMVLADAFYYVGENGERNWVSPVDAIVERDEKGR
IVKAKDAAGHELVYTGMSKMSKSKNNGIDPQVMVERYGADTVRLFMMFASPADMTLEWQE
SGVEGANRFLKRVWKLVYEHTAKGDVAALNVDALTENQKALRRDVHKTIAKVTDDIGRRQ
TFNTAIAAIMELMNKLAKAPTDGEQDRALMQEALLAVVRMLNPFTPHICFTLWQELKGEG
DIDNAPWPVADEKAMVEDSTLVVVQVNGKVRAKITVPVDATEEQVRERAGQEHLVAKYLD
GVTVRKVIYVPGKLLNLVVG
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| BDBM50569957 |
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| n/a |
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| Name | BDBM50569957 |
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| Synonyms: | CHEMBL4864965 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H34F3N5O8S |
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| Mol. Mass. | 609.616 |
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| SMILES | CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(nn2)-c2ccc(OC(F)(F)F)cc2)[C@H](O)[C@@H]1O |r| |
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| Structure | 
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