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Target
Leucine--tRNA ligase
Ligand
BDBM50286775
Substrate
n/a
Meas. Tech.
ChEMBL_1729553 (CHEMBL4144831)
IC50
3600±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_STAA8 | leuS
Type:
PROTEIN
Mol. Mass.:
91758.59
Organism:
Staphylococcus aureus (strain NCTC 8325)
Description:
ChEMBL_117840
Residue:
805
Sequence:
MLNYNHNQIEKKWQDYWDENKTFKTNDNLGQKKFYALDMFPYPSGAGLHVGHPEGYTATDIISRYKRMQGYNVLHPMGWDAFGLPAEQYALDTGNDPREFTKKNIQTFKRQIKELGFSYDWDREVNTTDPEYYKWTQWIFIQLYNKGLAYVDEVAVNWCPALGTVLSNEEVIDGVSERGGHPVYRKPMKQWVLKITEYADQLLADLDDLDWPESLKDMQRNWIGRSEGAKVSFDVDNTEGKVEVFTTRPDTIYGASFLVLSPEHALVNSITTDEYKEKVKAYQTEASKKSDLERTDLAKDKSGVFTGAYATNPLSGEKVQIWIADYVLSTYGTGAIMAVPAHDDRDYEFAKKFDLPIIEVIEGGNVEEAAYTGEGKHINSGELDGLENEAAITKAIQLLEQKGAGEKKVNYKLRDWLFSRQRYWGEPIPVIHWEDGTMTTVPEEELPLLLPETDEIKPSGTGESPLANIDSFVNVVDEKTGMKGRRETNTMPQWAGSCWYYLRYIDPKNENMLADPEKLKHWLPVDLYIGGVEHAVLHLLYARFWHKVLYDLAIVPTKEPFQKLFNQGMILGEGNEKMSKSKGNVINPDDIVQSHGADTLRLYEMFMGPLDAAIAWSEKGLDGSRRFLDRVWRLMVNEDGTLSSKIVTTNNKSLDKVYNQTVKKVTEDFETLGFNTAISQLMVFINECYKVDEVYKPYIEGFVKMLAPIAPHIGEELWSKLGHEESITYQPWPTYDEALLVDDEVEIVVQVNGKLRAKIKIAKDTSKEEMQEIALSNDNVKASIEGKDIMKVIAVPQKLVNIVAK
  
Inhibitor
Name:
BDBM50286775
Synonyms:
CHEMBL4174152
Type:
Small organic molecule
Emp. Form.:
C22H25N5O3S
Mol. Mass.:
439.531
SMILES:
CC(C)C[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1cc(nc(N)n1)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: