Reaction Details Report a problem with these data
Target
Queuine tRNA-ribosyltransferase
Ligand
BDBM84652
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.3±0
Ki
3.1e+4± 1.0e+4 nM
Citation
 Ritschel, T; Hoertner, S; Heine, A; Diederich, F; Klebe, G Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT. Chembiochem 10:716-27 (2009) [PubMed]  Article 
Target
Name:
Queuine tRNA-ribosyltransferase
Synonyms:
TGT_ZYMMO | tRNA-guanine transglycosylase | tRNA-guanine transglycosylase (TGT) | tgt
Type:
Protein
Mol. Mass.:
42844.19
Organism:
Zymomonas mobilis
Description:
P28720
Residue:
386
Sequence:
MVEATAQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSSLTKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLTPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARYFARNS
  
Inhibitor
Name:
BDBM84652
Synonyms:
Quinazolinone scaffold, 1
Type:
Small organic molecule
Emp. Form.:
C10H12N4O
Mol. Mass.:
204.2285
SMILES:
CN(C)c1ccc2c(c1)nc(N)[nH]c2=O
Structure:
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