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Target
Leucine--tRNA ligase
Ligand
BDBM50569953
Substrate
n/a
Meas. Tech.
ChEMBL_2110785 (CHEMBL4819635)
Ki
2970±n/a nM
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 Chem 211:0 (2021) [PubMed]  Article 
Target
Name:
Leucine--tRNA ligase
Synonyms:
6.1.1.4 | LeuRS | Leucine--tRNA ligase | Leucyl-tRNA synthetase | SYL_ECOLI | leuS
Type:
PROTEIN
Mol. Mass.:
97211.51
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_117811
Residue:
860
Sequence:
MQEQYRPEEIESKVQLHWDEKRTFEVTEDESKEKYYCLSMLPYPSGRLHMGHVRNYTIGDVIARYQRMLGKNVLQPIGWDAFGLPAEGAAVKNNTAPAPWTYDNIAYMKNQLKMLGFGYDWSRELATCTPEYYRWEQKFFTELYKKGLVYKKTSAVNWCPNDQTVLANEQVIDGCCWRCDTKVERKEIPQWFIKITAYADELLNDLDKLDHWPDTVKTMQRNWIGRSEGVEITFNVNDYDNTLTVYTTRPDTFMGCTYLAVAAGHPLAQKAAENNPELAAFIDECRNTKVAEAEMATMEKKGVDTGFKAVHPLTGEEIPVWAANFVLMEYGTGAVMAVPGHDQRDYEFASKYGLNIKPVILAADGSEPDLSQQALTEKGVLFNSGEFNGLDHEAAFNAIADKLTAMGVGERKVNYRLRDWGVSRQRYWGAPIPMVTLEDGTVMPTPDDQLPVILPEDVVMDGITSPIKADPEWAKTTVNGMPALRETDTFDTFMESSWYYARYTCPQYKEGMLDSEAANYWLPVDIYIGGIEHAIMHLLYFRFFHKLMRDAGMVNSDEPAKQLLCQGMVLADAFYYVGENGERNWVSPVDAIVERDEKGRIVKAKDAAGHELVYTGMSKMSKSKNNGIDPQVMVERYGADTVRLFMMFASPADMTLEWQESGVEGANRFLKRVWKLVYEHTAKGDVAALNVDALTENQKALRRDVHKTIAKVTDDIGRRQTFNTAIAAIMELMNKLAKAPTDGEQDRALMQEALLAVVRMLNPFTPHICFTLWQELKGEGDIDNAPWPVADEKAMVEDSTLVVVQVNGKVRAKITVPVDATEEQVRERAGQEHLVAKYLDGVTVRKVIYVPGKLLNLVVG
  
Inhibitor
Name:
BDBM50569953
Synonyms:
CHEMBL4871079
Type:
Small organic molecule
Emp. Form.:
C18H34N6O7S
Mol. Mass.:
478.564
SMILES:
CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CN)nn2)[C@H](O)[C@@H]1O |r|
Structure:
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