Reaction Details Report a problem with these data
Target
Tyrosine--tRNA ligase
Ligand
BDBM199145
Substrate
n/a
Meas. Tech.
In vitro Enzyme Inhibition Assay
pH
7.9±n/a
IC50
5.11e+3± 1.6e+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:
BDBM199145
Synonyms:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)-ethyl-1-(4-chlorophenyl)-5-(o-tolyl)-1H-pyrazole-3-carboxylate (4q)
Type:
Small organic molecule
Emp. Form.:
C23H20ClN5O4
Mol. Mass.:
465.889
SMILES:
Cc1ncc(n1CCOC(=O)c1cc(-c2ccccc2C)n(n1)-c1ccc(Cl)cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: