Reaction Details Report a problem with these data
Target
Tyrosine--tRNA ligase
Ligand
BDBM18130
Substrate
BDBM18129
Meas. Tech.
Tyrosyl tRNA Synthetase Inhibition Assay
pH
7.9±n/a
Temperature
310.15±n/a K
IC50
3±n/a nM
Citation
 Qiu, X; Janson, CA; Smith, WW; Green, SM; McDevitt, P; Johanson, K; Carter, P; Hibbs, M; Lewis, C; Chalker, A; Fosberry, A; Lalonde, J; Berge, J; Brown, P; Houge-Frydrych, CS; Jarvest, RL Crystal structure of Staphylococcus aureus tyrosyl-tRNA synthetase in complex with a class of potent and specific inhibitors. Protein Sci 10:2008-16 (2001) [PubMed]  Article 
Target
Name:
Tyrosine--tRNA ligase
Synonyms:
SYY_STAA8 | Tyrosine--tRNA ligase | tRNA synthetase (TyrRS) | tyrS
Type:
Enzyme
Mol. Mass.:
47586.43
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
420
Sequence:
MTNVLIEDLKWRGLIYQQTDEQGIEDLLNKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGTDHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRLEHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRISQALFSGDLKSLSAKELKDGFKDVPQVTLSNDTTNIVEVLIETGISPSKRQAREDVNNGAIYINGERQQDVNYALAPEDKIDGEFTIIRRGKKKYFMVNYQ
  
Inhibitor
Name:
BDBM18130
Synonyms:
(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl]acetic acid | SB-239629
Type:
Small organic molecule
Emp. Form.:
C17H25N3O9
Mol. Mass.:
415.3951
SMILES:
[H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@](O)(CO)[C@@H](O)CN1O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18129
Synonyms:
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | L-[U-14C]Tyr | Tyrosine | US11021454, Compound L-tyr
Type:
Amino Acid
Emp. Form.:
C9H11NO3
Mol. Mass.:
181.1885
SMILES:
N[C@@H](Cc1ccc(O)cc1)C(O)=O
Structure:
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