Reaction Details  Report a problem with these data
Target
Glutamine--tRNA ligase
Ligand
BDBM50366674
Substrate
n/a
Meas. Tech.
ChEMBL_72303 (CHEMBL688461)
Ki
860±n/a nM
Citation
 Bernier, S; Dubois, DY; Therrien, M; Lapointe, J; Chênevert, R Synthesis of glutaminyl adenylate analogues that are inhibitors of glutaminyl-tRNA synthetase. Bioorg Med Chem Lett 10:2441-4 (2001) [PubMed]
Target
Name:
Glutamine--tRNA ligase
Synonyms:
Glutaminyl-tRNA synthetase | QARS | QARS1 | SYQ_HUMAN
Type:
PROTEIN
Mol. Mass.:
87806.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_72305
Residue:
775
Sequence:
MAALDSLSLFTSLGLSEQKARETLKNSALSAQLREAATQAQQTLGSTIDKATGILLYGLASRLRDTRRLSFLVSYIASKKIHTEPQLSAALEYVRSHPLDPIDTVDFERECGVGVIVTPEQIEEAVEAAINRHRPQLLVERYHFNMGLLMGEARAVLKWADGKMIKNEVDMQVLHLLGPKLEADLEKKFKVAKARLEETDRRTAKDVVENGETADQTLSLMEQLRGEALKFHKPGENYKTPGYVVTPHTMNLLKQHLEITGGQVRTRFPPEPNGILHIGHAKAINFNFGYAKANNGICFLRFDDTNPEKEEAKFFTAICDMVAWLGYTPYKVTYASDYFDQLYAWAVELIRRGLAYVCHQRGEELKGHNTLPSPWRDRPMEESLLLFEAMRKGKFSEGEATLRMKLVMEDGKMDPVAYRVKYTPHHRTGDKWCIYPTYDYTHCLCDSIEHITHSLCTKEFQARRSSYFWLCNALDVYCPVQWEYGRLNLHYAVVSKRKILQLVATGAVRDWDDPRLFTLTALRRRGFPPEAINNFCARVGVTVAQTTMEPHLLEACVRDVLNDTAPRAMAVLESLRVIITNFPAAKSLDIQVPNFPADETKGFHQVPFAPIVFIERTDFKEEPEPGFKRLAWGQPVGLRHTGYVIELQHVVKGPSGCVESLEVTCRRADAGEKPKAFIHWVSQPLMCEVRLYERLFQHKNPEDPTEVPGGFLSDLNLASLHVVDAALVDCSVALAKPFDKFQFERLGYFSVDPDSHQGKLVFNRTVTLKEDPGKV
  
Inhibitor
Name:
BDBM50366674
Synonyms:
CHEMBL609187
Type:
Small organic molecule
Emp. Form.:
C15H23N7O8P
Mol. Mass.:
460.3595
SMILES:
NC(CCC(N)=O)COP([O-])(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: