Reaction Details Report a problem with these data
Target
Tyrosine--tRNA ligase
Ligand
BDBM18131
Substrate
BDBM18129
Meas. Tech.
Tyrosyl tRNA Synthetase Inhibition Assay
pH
7.9±n/a
Temperature
310.15±n/a K
IC50
0.2±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
More Info.:
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:
BDBM18131
Synonyms:
SB-243545 | butyl (2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl]acetate
Type:
Small organic molecule
Emp. Form.:
C21H33N3O9
Mol. Mass.:
471.5014
SMILES:
[H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)OCCCC)[C@H](O)[C@](O)(CO)[C@@H](O)CN1O |r|