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Target
Leucine--tRNA ligase
Ligand
BDBM50286769
Substrate
n/a
Meas. Tech.
ChEMBL_1729550 (CHEMBL4144828)
Kd
15±n/a nM
Citation
 Charlton, MH; Aleksis, R; Saint-Leger, A; Gupta, A; Loza, E; Ribas de Pouplana, L; Kaula, I; Gustina, D; Madre, M; Lola, D; Jaudzems, K; Edmund, G; Randall, CP; Kime, L; O'Neill, AJ; Goessens, W; Jirgensons, A; Finn, PW -Leucinyl Benzenesulfonamides as Structurally Simplified Leucyl-tRNA Synthetase Inhibitors. ACS Med Chem Lett 9:84-88 (2018) [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:
BDBM50286769
Synonyms:
CHEMBL4161986
Type:
Small organic molecule
Emp. Form.:
C16H21N5O3S
Mol. Mass.:
363.435
SMILES:
CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccnc(N)n1 |r|
Structure:
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