Reaction Details Report a problem with these data
Target
Tyrosine--tRNA ligase
Ligand
BDBM199137
Substrate
n/a
Meas. Tech.
In vitro Enzyme Inhibition Assay
pH
7.9±n/a
IC50
2.123e+4± 2.9e+2 nM
Comments
extracted
Citation
 Chen, LW; Wang, PF; Tang, DJ; Tao, XX; Man, RJ; Qiu, HY; Wang, ZC; Xu, C; Zhu, HL Metronidazole containing pyrazole derivatives potently inhibit tyrosyl-tRNA synthetase: design, synthesis, and biological evaluation. Chem Biol Drug Des 88:592-8 (2016) [PubMed]  Article 
Target
Name:
Tyrosine--tRNA ligase
Synonyms:
SYY_STAAS | Tyrosyl-tRNA synthetase | tyrS
Type:
Protein
Mol. Mass.:
47586.43
Organism:
Staphylococcus aureus (strain MSSA476)
Description:
n/a
Residue:
420
Sequence:
MTNVLIEDLKWRGLIYQQTDEQGIEDLLNKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGTDHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRLEHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRISQALFSGDLKSLSAKELKDGFKDVPQVTLSNDTTNIVEVLIETGISPSKRQAREDVNNGAIYINGERQQDVNYALAPEDKIDGEFTIIRRGKKKYFMVNYQ
  
Inhibitor
Name:
BDBM199137
Synonyms:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-5-(4-chlorophenyl)-1-phenyl-1H-pyrazole-3-carboxylate (4i)
Type:
Small organic molecule
Emp. Form.:
C22H18ClN5O4
Mol. Mass.:
451.862
SMILES:
Cc1ncc(n1CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1)[N+]([O-])=O
Structure:
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