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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine--tRNA ligase' and Ligand = 'BDBM50458121'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine--tRNA ligase


(Escherichia coli (strain K12))		BDBM50458121
PNG
(CHEMBL1163085)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 2.90n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) Tyrosyl-tRNA synthetase assessed as reduction in tRNA aminoacylation preincubated for 10 mins with Escherich...

Eur J Med Chem 148: 384-396 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.013
BindingDB Entry DOI: 10.7270/Q2057JJS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)